Revision c45a7e66a8a89c436d41b8431938b35acfa4e53b authored by Heiner Atze on 17 August 2021, 11:38:48 UTC, committed by Heiner Atze on 17 August 2021, 11:38:48 UTC
1 parent d4fc31a
Tetra-Tetra_all_labeling_variants.csv
,monoisotopic_mass,M_H,M_2H,labeling,labeling_pattern
0,1953.01158577984,1954.01941081204,977.513617922118,"[('C', 13), ('N', 15)]",++++++++++++
1,1949.00448638016,1950.01231141236,975.510068222282,"[('C', 13), ('N', 15)]",+++++++++++-
2,1943.9877122048,1944.995537237,973.001681134601,"[('C', 13), ('N', 15)]",++++++++++-+
3,1939.98061280513,1940.98843783733,970.998131434766,"[('C', 13), ('N', 15)]",++++++++++--
4,1940.97764769959,1941.98547273179,971.496648881993,"[('C', 13), ('N', 15)]",+++++++++-++
5,1936.97054829991,1937.97837333211,969.493099182157,"[('C', 13), ('N', 15)]",+++++++++-+-
6,1931.95377412455,1932.96159915675,966.984712094477,"[('C', 13), ('N', 15)]",+++++++++--+
7,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",+++++++++---
8,1949.00448638016,1950.01231141236,975.510068222282,"[('C', 13), ('N', 15)]",++++++++-+++
9,1944.99738698049,1946.00521201269,973.506518522447,"[('C', 13), ('N', 15)]",++++++++-++-
10,1939.98061280513,1940.98843783733,970.998131434766,"[('C', 13), ('N', 15)]",++++++++-+-+
11,1935.97351340546,1936.98133843766,968.99458173493,"[('C', 13), ('N', 15)]",++++++++-+--
12,1936.97054829991,1937.97837333211,969.493099182157,"[('C', 13), ('N', 15)]",++++++++--++
13,1932.96344890024,1933.97127393244,967.489549482322,"[('C', 13), ('N', 15)]",++++++++--+-
14,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",++++++++---+
15,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",++++++++----
16,1946.99777671002,1948.00560174222,974.50671338721,"[('C', 13), ('N', 15)]",+++++++-++++
17,1942.99067731035,1943.99850234255,972.503163687374,"[('C', 13), ('N', 15)]",+++++++-+++-
18,1937.97390313499,1938.98172816719,969.994776599693,"[('C', 13), ('N', 15)]",+++++++-++-+
19,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",+++++++-++--
20,1934.96383862977,1935.97166366197,968.489744347085,"[('C', 13), ('N', 15)]",+++++++-+-++
21,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+++++++-+-+-
22,1925.93996505474,1926.94779008694,963.977807559569,"[('C', 13), ('N', 15)]",+++++++-+--+
23,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+++++++-+---
24,1942.99067731035,1943.99850234255,972.503163687374,"[('C', 13), ('N', 15)]",+++++++--+++
25,1938.98357791068,1939.99140294288,970.499613987539,"[('C', 13), ('N', 15)]",+++++++--++-
26,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",+++++++--+-+
27,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",+++++++--+--
28,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+++++++---++
29,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",+++++++---+-
30,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+++++++----+
31,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+++++++-----
32,1943.99403214542,1945.00185717762,973.00484110491,"[('C', 13), ('N', 15)]",++++++-+++++
33,1939.98693274575,1940.99475777795,971.001291405075,"[('C', 13), ('N', 15)]",++++++-++++-
34,1934.97015857039,1935.97798360259,968.492904317394,"[('C', 13), ('N', 15)]",++++++-+++-+
35,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",++++++-+++--
36,1931.96009406517,1932.96791909737,966.987872064785,"[('C', 13), ('N', 15)]",++++++-++-++
37,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",++++++-++-+-
38,1922.93622049014,1923.94404552234,962.475935277269,"[('C', 13), ('N', 15)]",++++++-++--+
39,1918.92912109047,1919.93694612267,960.472385577434,"[('C', 13), ('N', 15)]",++++++-++---
40,1939.98693274575,1940.99475777795,971.001291405075,"[('C', 13), ('N', 15)]",++++++-+-+++
41,1935.97983334608,1936.98765837828,968.997741705239,"[('C', 13), ('N', 15)]",++++++-+-++-
42,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",++++++-+-+-+
43,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",++++++-+-+--
44,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",++++++-+--++
45,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",++++++-+--+-
46,1918.92912109047,1919.93694612267,960.472385577434,"[('C', 13), ('N', 15)]",++++++-+---+
47,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",++++++-+----
48,1937.9802230756,1938.9880481078,969.997936570002,"[('C', 13), ('N', 15)]",++++++--++++
49,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",++++++--+++-
50,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",++++++--++-+
51,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",++++++--++--
52,1925.94628499536,1926.95411002755,963.980967529877,"[('C', 13), ('N', 15)]",++++++--+-++
53,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",++++++--+-+-
54,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",++++++--+--+
55,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",++++++--+---
56,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",++++++---+++
57,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++++++---++-
58,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",++++++---+-+
59,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++++++---+--
60,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",++++++----++
61,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++++++----+-
62,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",++++++-----+
63,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++++++------
64,1949.00448638016,1950.01231141236,975.510068222282,"[('C', 13), ('N', 15)]",+++++-++++++
65,1944.99738698049,1946.00521201269,973.506518522446,"[('C', 13), ('N', 15)]",+++++-+++++-
66,1939.98061280513,1940.98843783733,970.998131434766,"[('C', 13), ('N', 15)]",+++++-++++-+
67,1935.97351340546,1936.98133843766,968.99458173493,"[('C', 13), ('N', 15)]",+++++-++++--
68,1936.97054829991,1937.97837333211,969.493099182157,"[('C', 13), ('N', 15)]",+++++-+++-++
69,1932.96344890024,1933.97127393244,967.489549482321,"[('C', 13), ('N', 15)]",+++++-+++-+-
70,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",+++++-+++--+
71,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",+++++-+++---
72,1944.99738698049,1946.00521201269,973.506518522446,"[('C', 13), ('N', 15)]",+++++-++-+++
73,1940.99028758082,1941.99811261302,971.502968822611,"[('C', 13), ('N', 15)]",+++++-++-++-
74,1935.97351340546,1936.98133843766,968.99458173493,"[('C', 13), ('N', 15)]",+++++-++-+-+
75,1931.96641400579,1932.97423903799,966.991032035094,"[('C', 13), ('N', 15)]",+++++-++-+--
76,1932.96344890024,1933.97127393244,967.489549482321,"[('C', 13), ('N', 15)]",+++++-++--++
77,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",+++++-++--+-
78,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",+++++-++---+
79,1919.93247592554,1920.94030095774,960.97406299497,"[('C', 13), ('N', 15)]",+++++-++----
80,1942.99067731035,1943.99850234255,972.503163687374,"[('C', 13), ('N', 15)]",+++++-+-++++
81,1938.98357791068,1939.99140294288,970.499613987538,"[('C', 13), ('N', 15)]",+++++-+-+++-
82,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",+++++-+-++-+
83,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",+++++-+-++--
84,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+++++-+-+-++
85,1926.94963983043,1927.95746486263,964.482644947413,"[('C', 13), ('N', 15)]",+++++-+-+-+-
86,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+++++-+-+--+
87,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+++++-+-+---
88,1938.98357791068,1939.99140294288,970.499613987538,"[('C', 13), ('N', 15)]",+++++-+--+++
89,1934.97647851101,1935.98430354321,968.496064287703,"[('C', 13), ('N', 15)]",+++++-+--++-
90,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",+++++-+--+-+
91,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",+++++-+--+--
92,1926.94963983043,1927.95746486263,964.482644947413,"[('C', 13), ('N', 15)]",+++++-+---++
93,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",+++++-+---+-
94,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+++++-+----+
95,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",+++++-+-----
96,1939.98693274575,1940.99475777795,971.001291405075,"[('C', 13), ('N', 15)]",+++++--+++++
97,1935.97983334608,1936.98765837828,968.997741705239,"[('C', 13), ('N', 15)]",+++++--++++-
98,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",+++++--+++-+
99,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",+++++--+++--
100,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",+++++--++-++
101,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+++++--++-+-
102,1918.92912109047,1919.93694612267,960.472385577434,"[('C', 13), ('N', 15)]",+++++--++--+
103,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+++++--++---
104,1935.97983334608,1936.98765837828,968.997741705239,"[('C', 13), ('N', 15)]",+++++--+-+++
105,1931.97273394641,1932.98055897861,966.994192005403,"[('C', 13), ('N', 15)]",+++++--+-++-
106,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",+++++--+-+-+
107,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",+++++--+-+--
108,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+++++--+--++
109,1919.93879586616,1920.94662089836,960.977222965279,"[('C', 13), ('N', 15)]",+++++--+--+-
110,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+++++--+---+
111,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",+++++--+----
112,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",+++++---++++
113,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",+++++---+++-
114,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",+++++---++-+
115,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",+++++---++--
116,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+++++---+-++
117,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+++++---+-+-
118,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+++++---+--+
119,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+++++---+---
120,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",+++++----+++
121,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",+++++----++-
122,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",+++++----+-+
123,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",+++++----+--
124,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+++++-----++
125,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+++++-----+-
126,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+++++------+
127,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+++++-------
128,1943.99403214542,1945.00185717762,973.00484110491,"[('C', 13), ('N', 15)]",++++-+++++++
129,1939.98693274575,1940.99475777795,971.001291405075,"[('C', 13), ('N', 15)]",++++-++++++-
130,1934.97015857039,1935.97798360259,968.492904317394,"[('C', 13), ('N', 15)]",++++-+++++-+
131,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",++++-+++++--
132,1931.96009406517,1932.96791909737,966.987872064785,"[('C', 13), ('N', 15)]",++++-++++-++
133,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",++++-++++-+-
134,1922.93622049014,1923.94404552234,962.475935277269,"[('C', 13), ('N', 15)]",++++-++++--+
135,1918.92912109047,1919.93694612267,960.472385577434,"[('C', 13), ('N', 15)]",++++-++++---
136,1939.98693274575,1940.99475777795,971.001291405075,"[('C', 13), ('N', 15)]",++++-+++-+++
137,1935.97983334608,1936.98765837828,968.997741705239,"[('C', 13), ('N', 15)]",++++-+++-++-
138,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",++++-+++-+-+
139,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",++++-+++-+--
140,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",++++-+++--++
141,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",++++-+++--+-
142,1918.92912109047,1919.93694612267,960.472385577434,"[('C', 13), ('N', 15)]",++++-+++---+
143,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",++++-+++----
144,1937.9802230756,1938.9880481078,969.997936570002,"[('C', 13), ('N', 15)]",++++-++-++++
145,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",++++-++-+++-
146,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",++++-++-++-+
147,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",++++-++-++--
148,1925.94628499536,1926.95411002755,963.980967529877,"[('C', 13), ('N', 15)]",++++-++-+-++
149,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",++++-++-+-+-
150,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",++++-++-+--+
151,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",++++-++-+---
152,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",++++-++--+++
153,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++++-++--++-
154,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",++++-++--+-+
155,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++++-++--+--
156,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",++++-++---++
157,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++++-++---+-
158,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",++++-++----+
159,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++++-++-----
160,1934.97647851101,1935.98430354321,968.496064287703,"[('C', 13), ('N', 15)]",++++-+-+++++
161,1930.96937911133,1931.97720414353,966.492514587867,"[('C', 13), ('N', 15)]",++++-+-++++-
162,1925.95260493597,1926.96042996817,963.984127500187,"[('C', 13), ('N', 15)]",++++-+-+++-+
163,1921.9455055363,1922.9533305685,961.980577800351,"[('C', 13), ('N', 15)]",++++-+-+++--
164,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",++++-+-++-++
165,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",++++-+-++-+-
166,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",++++-+-++--+
167,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",++++-+-++---
168,1930.96937911133,1931.97720414353,966.492514587867,"[('C', 13), ('N', 15)]",++++-+-+-+++
169,1926.96227971166,1927.97010474386,964.488964888032,"[('C', 13), ('N', 15)]",++++-+-+-++-
170,1921.9455055363,1922.9533305685,961.980577800351,"[('C', 13), ('N', 15)]",++++-+-+-+-+
171,1917.93840613663,1918.94623116883,959.977028100515,"[('C', 13), ('N', 15)]",++++-+-+-+--
172,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",++++-+-+--++
173,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",++++-+-+--+-
174,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",++++-+-+---+
175,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",++++-+-+----
176,1928.96266944119,1929.97049447339,965.489159752795,"[('C', 13), ('N', 15)]",++++-+--++++
177,1924.95557004152,1925.96339507372,963.485610052959,"[('C', 13), ('N', 15)]",++++-+--+++-
178,1919.93879586616,1920.94662089836,960.977222965279,"[('C', 13), ('N', 15)]",++++-+--++-+
179,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",++++-+--++--
180,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",++++-+--+-++
181,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",++++-+--+-+-
182,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",++++-+--+--+
183,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",++++-+--+---
184,1924.95557004152,1925.96339507372,963.485610052959,"[('C', 13), ('N', 15)]",++++-+---+++
185,1920.94847064185,1921.95629567405,961.482060353124,"[('C', 13), ('N', 15)]",++++-+---++-
186,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",++++-+---+-+
187,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",++++-+---+--
188,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",++++-+----++
189,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",++++-+----+-
190,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",++++-+-----+
191,1899.89065898657,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",++++-+------
192,1939.98693274575,1940.99475777795,971.001291405075,"[('C', 13), ('N', 15)]",++++--++++++
193,1935.97983334608,1936.98765837828,968.997741705239,"[('C', 13), ('N', 15)]",++++--+++++-
194,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",++++--++++-+
195,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",++++--++++--
196,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",++++--+++-++
197,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",++++--+++-+-
198,1918.92912109047,1919.93694612267,960.472385577434,"[('C', 13), ('N', 15)]",++++--+++--+
199,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",++++--+++---
200,1935.97983334608,1936.98765837828,968.997741705239,"[('C', 13), ('N', 15)]",++++--++-+++
201,1931.97273394641,1932.98055897861,966.994192005403,"[('C', 13), ('N', 15)]",++++--++-++-
202,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",++++--++-+-+
203,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",++++--++-+--
204,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",++++--++--++
205,1919.93879586616,1920.94662089836,960.977222965279,"[('C', 13), ('N', 15)]",++++--++--+-
206,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",++++--++---+
207,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",++++--++----
208,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",++++--+-++++
209,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++++--+-+++-
210,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",++++--+-++-+
211,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++++--+-++--
212,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",++++--+-+-++
213,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++++--+-+-+-
214,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",++++--+-+--+
215,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++++--+-+---
216,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++++--+--+++
217,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",++++--+--++-
218,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++++--+--+-+
219,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",++++--+--+--
220,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++++--+---++
221,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",++++--+---+-
222,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++++--+----+
223,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",++++--+-----
224,1930.96937911133,1931.97720414353,966.492514587867,"[('C', 13), ('N', 15)]",++++---+++++
225,1926.96227971166,1927.97010474386,964.488964888032,"[('C', 13), ('N', 15)]",++++---++++-
226,1921.9455055363,1922.9533305685,961.980577800351,"[('C', 13), ('N', 15)]",++++---+++-+
227,1917.93840613663,1918.94623116883,959.977028100515,"[('C', 13), ('N', 15)]",++++---+++--
228,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",++++---++-++
229,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",++++---++-+-
230,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",++++---++--+
231,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",++++---++---
232,1926.96227971166,1927.97010474386,964.488964888032,"[('C', 13), ('N', 15)]",++++---+-+++
233,1922.95518031199,1923.96300534419,962.485415188196,"[('C', 13), ('N', 15)]",++++---+-++-
234,1917.93840613663,1918.94623116883,959.977028100515,"[('C', 13), ('N', 15)]",++++---+-+-+
235,1913.93130673696,1914.93913176916,957.97347840068,"[('C', 13), ('N', 15)]",++++---+-+--
236,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",++++---+--++
237,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",++++---+--+-
238,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",++++---+---+
239,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",++++---+----
240,1924.95557004152,1925.96339507372,963.485610052959,"[('C', 13), ('N', 15)]",++++----++++
241,1920.94847064185,1921.95629567405,961.482060353124,"[('C', 13), ('N', 15)]",++++----+++-
242,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",++++----++-+
243,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",++++----++--
244,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",++++----+-++
245,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",++++----+-+-
246,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",++++----+--+
247,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",++++----+---
248,1920.94847064185,1921.95629567405,961.482060353124,"[('C', 13), ('N', 15)]",++++-----+++
249,1916.94137124218,1917.94919627438,959.478510653288,"[('C', 13), ('N', 15)]",++++-----++-
250,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",++++-----+-+
251,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",++++-----+--
252,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",++++------++
253,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",++++------+-
254,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",++++-------+
255,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",++++--------
256,1946.99777671002,1948.00560174222,974.50671338721,"[('C', 13), ('N', 15)]",+++-++++++++
257,1942.99067731035,1943.99850234255,972.503163687374,"[('C', 13), ('N', 15)]",+++-+++++++-
258,1937.97390313499,1938.98172816719,969.994776599693,"[('C', 13), ('N', 15)]",+++-++++++-+
259,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",+++-++++++--
260,1934.96383862977,1935.97166366197,968.489744347085,"[('C', 13), ('N', 15)]",+++-+++++-++
261,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+++-+++++-+-
262,1925.93996505474,1926.94779008694,963.977807559569,"[('C', 13), ('N', 15)]",+++-+++++--+
263,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+++-+++++---
264,1942.99067731035,1943.99850234255,972.503163687374,"[('C', 13), ('N', 15)]",+++-++++-+++
265,1938.98357791068,1939.99140294288,970.499613987539,"[('C', 13), ('N', 15)]",+++-++++-++-
266,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",+++-++++-+-+
267,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",+++-++++-+--
268,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+++-++++--++
269,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",+++-++++--+-
270,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+++-++++---+
271,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+++-++++----
272,1940.9839676402,1941.9917926724,971.499808852302,"[('C', 13), ('N', 15)]",+++-+++-++++
273,1936.97686824053,1937.98469327273,969.496259152466,"[('C', 13), ('N', 15)]",+++-+++-+++-
274,1931.96009406517,1932.96791909737,966.987872064785,"[('C', 13), ('N', 15)]",+++-+++-++-+
275,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",+++-+++-++--
276,1928.95002955995,1929.95785459215,965.482839812177,"[('C', 13), ('N', 15)]",+++-+++-+-++
277,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",+++-+++-+-+-
278,1919.92615598492,1920.93398101712,960.970903024661,"[('C', 13), ('N', 15)]",+++-+++-+--+
279,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+++-+++-+---
280,1936.97686824053,1937.98469327273,969.496259152466,"[('C', 13), ('N', 15)]",+++-+++--+++
281,1932.96976884086,1933.97759387306,967.492709452631,"[('C', 13), ('N', 15)]",+++-+++--++-
282,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",+++-+++--+-+
283,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+++-+++--+--
284,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",+++-+++---++
285,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",+++-+++---+-
286,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+++-+++----+
287,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+++-+++-----
288,1937.9802230756,1938.9880481078,969.997936570002,"[('C', 13), ('N', 15)]",+++-++-+++++
289,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",+++-++-++++-
290,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",+++-++-+++-+
291,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",+++-++-+++--
292,1925.94628499536,1926.95411002755,963.980967529878,"[('C', 13), ('N', 15)]",+++-++-++-++
293,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+++-++-++-+-
294,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",+++-++-++--+
295,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+++-++-++---
296,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",+++-++-+-+++
297,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",+++-++-+-++-
298,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",+++-++-+-+-+
299,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",+++-++-+-+--
300,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+++-++-+--++
301,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+++-++-+--+-
302,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+++-++-+---+
303,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+++-++-+----
304,1931.96641400579,1932.97423903799,966.991032035094,"[('C', 13), ('N', 15)]",+++-++--++++
305,1927.95931460612,1928.96713963832,964.987482335259,"[('C', 13), ('N', 15)]",+++-++--+++-
306,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",+++-++--++-+
307,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",+++-++--++--
308,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",+++-++--+-++
309,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+++-++--+-+-
310,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",+++-++--+--+
311,1906.90150295083,1907.90932798304,954.458576507617,"[('C', 13), ('N', 15)]",+++-++--+---
312,1927.95931460612,1928.96713963832,964.987482335259,"[('C', 13), ('N', 15)]",+++-++---+++
313,1923.95221520645,1924.96004023865,962.983932635423,"[('C', 13), ('N', 15)]",+++-++---++-
314,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",+++-++---+-+
315,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",+++-++---+--
316,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+++-++----++
317,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+++-++----+-
318,1906.90150295083,1907.90932798304,954.458576507617,"[('C', 13), ('N', 15)]",+++-++-----+
319,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+++-++------
320,1942.99067731035,1943.99850234255,972.503163687374,"[('C', 13), ('N', 15)]",+++-+-++++++
321,1938.98357791068,1939.99140294288,970.499613987539,"[('C', 13), ('N', 15)]",+++-+-+++++-
322,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",+++-+-++++-+
323,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",+++-+-++++--
324,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+++-+-+++-++
325,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",+++-+-+++-+-
326,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+++-+-+++--+
327,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+++-+-+++---
328,1938.98357791068,1939.99140294288,970.499613987539,"[('C', 13), ('N', 15)]",+++-+-++-+++
329,1934.97647851101,1935.98430354321,968.496064287703,"[('C', 13), ('N', 15)]",+++-+-++-++-
330,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",+++-+-++-+-+
331,1925.95260493597,1926.96042996817,963.984127500187,"[('C', 13), ('N', 15)]",+++-+-++-+--
332,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",+++-+-++--++
333,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",+++-+-++--+-
334,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+++-+-++---+
335,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",+++-+-++----
336,1936.97686824053,1937.98469327273,969.496259152466,"[('C', 13), ('N', 15)]",+++-+-+-++++
337,1932.96976884086,1933.97759387306,967.492709452631,"[('C', 13), ('N', 15)]",+++-+-+-+++-
338,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",+++-+-+-++-+
339,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+++-+-+-++--
340,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",+++-+-+-+-++
341,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",+++-+-+-+-+-
342,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+++-+-+-+--+
343,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+++-+-+-+---
344,1932.96976884086,1933.97759387306,967.492709452631,"[('C', 13), ('N', 15)]",+++-+-+--+++
345,1928.96266944119,1929.97049447339,965.489159752795,"[('C', 13), ('N', 15)]",+++-+-+--++-
346,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+++-+-+--+-+
347,1919.93879586616,1920.94662089836,960.977222965279,"[('C', 13), ('N', 15)]",+++-+-+--+--
348,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",+++-+-+---++
349,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",+++-+-+---+-
350,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+++-+-+----+
351,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+++-+-+-----
352,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",+++-+--+++++
353,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",+++-+--++++-
354,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",+++-+--+++-+
355,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",+++-+--+++--
356,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+++-+--++-++
357,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+++-+--++-+-
358,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+++-+--++--+
359,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+++-+--++---
360,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",+++-+--+-+++
361,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",+++-+--+-++-
362,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",+++-+--+-+-+
363,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",+++-+--+-+--
364,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+++-+--+--++
365,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+++-+--+--+-
366,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+++-+--+---+
367,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+++-+--+----
368,1927.95931460612,1928.96713963832,964.987482335259,"[('C', 13), ('N', 15)]",+++-+---++++
369,1923.95221520645,1924.96004023865,962.983932635423,"[('C', 13), ('N', 15)]",+++-+---+++-
370,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",+++-+---++-+
371,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",+++-+---++--
372,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+++-+---+-++
373,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+++-+---+-+-
374,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+++-+---+--+
375,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+++-+---+---
376,1923.95221520645,1924.96004023865,962.983932635423,"[('C', 13), ('N', 15)]",+++-+----+++
377,1919.94511580677,1920.95294083897,960.980382935587,"[('C', 13), ('N', 15)]",+++-+----++-
378,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",+++-+----+-+
379,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",+++-+----+--
380,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+++-+-----++
381,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",+++-+-----+-
382,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+++-+------+
383,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+++-+-------
384,1937.9802230756,1938.9880481078,969.997936570002,"[('C', 13), ('N', 15)]",+++--+++++++
385,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",+++--++++++-
386,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",+++--+++++-+
387,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",+++--+++++--
388,1925.94628499536,1926.95411002755,963.980967529877,"[('C', 13), ('N', 15)]",+++--++++-++
389,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+++--++++-+-
390,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",+++--++++--+
391,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+++--++++---
392,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",+++--+++-+++
393,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",+++--+++-++-
394,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",+++--+++-+-+
395,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",+++--+++-+--
396,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+++--+++--++
397,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+++--+++--+-
398,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+++--+++---+
399,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+++--+++----
400,1931.96641400579,1932.97423903799,966.991032035094,"[('C', 13), ('N', 15)]",+++--++-++++
401,1927.95931460612,1928.96713963832,964.987482335259,"[('C', 13), ('N', 15)]",+++--++-+++-
402,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",+++--++-++-+
403,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",+++--++-++--
404,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",+++--++-+-++
405,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+++--++-+-+-
406,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",+++--++-+--+
407,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+++--++-+---
408,1927.95931460612,1928.96713963832,964.987482335259,"[('C', 13), ('N', 15)]",+++--++--+++
409,1923.95221520645,1924.96004023865,962.983932635423,"[('C', 13), ('N', 15)]",+++--++--++-
410,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",+++--++--+-+
411,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",+++--++--+--
412,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+++--++---++
413,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+++--++---+-
414,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+++--++----+
415,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+++--++-----
416,1928.96266944119,1929.97049447339,965.489159752795,"[('C', 13), ('N', 15)]",+++--+-+++++
417,1924.95557004152,1925.96339507372,963.485610052959,"[('C', 13), ('N', 15)]",+++--+-++++-
418,1919.93879586616,1920.94662089836,960.977222965279,"[('C', 13), ('N', 15)]",+++--+-+++-+
419,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",+++--+-+++--
420,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",+++--+-++-++
421,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",+++--+-++-+-
422,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+++--+-++--+
423,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+++--+-++---
424,1924.95557004152,1925.96339507372,963.485610052959,"[('C', 13), ('N', 15)]",+++--+-+-+++
425,1920.94847064185,1921.95629567405,961.482060353124,"[('C', 13), ('N', 15)]",+++--+-+-++-
426,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",+++--+-+-+-+
427,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",+++--+-+-+--
428,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",+++--+-+--++
429,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+++--+-+--+-
430,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+++--+-+---+
431,1899.89065898657,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+++--+-+----
432,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",+++--+--++++
433,1918.9417609717,1919.9495860039,960.478705518051,"[('C', 13), ('N', 15)]",+++--+--+++-
434,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+++--+--++-+
435,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",+++--+--++--
436,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",+++--+--+-++
437,1906.90782289145,1907.91564792365,954.461736477926,"[('C', 13), ('N', 15)]",+++--+--+-+-
438,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+++--+--+--+
439,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",+++--+--+---
440,1918.9417609717,1919.9495860039,960.478705518051,"[('C', 13), ('N', 15)]",+++--+---+++
441,1914.93466157203,1915.94248660423,958.475155818216,"[('C', 13), ('N', 15)]",+++--+---++-
442,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",+++--+---+-+
443,1905.910787997,1906.9186130292,953.963219030699,"[('C', 13), ('N', 15)]",+++--+---+--
444,1906.90782289145,1907.91564792365,954.461736477926,"[('C', 13), ('N', 15)]",+++--+----++
445,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",+++--+----+-
446,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",+++--+-----+
447,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",+++--+------
448,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",+++---++++++
449,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",+++---+++++-
450,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",+++---++++-+
451,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",+++---++++--
452,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+++---+++-++
453,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+++---+++-+-
454,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+++---+++--+
455,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+++---+++---
456,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",+++---++-+++
457,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",+++---++-++-
458,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",+++---++-+-+
459,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",+++---++-+--
460,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+++---++--++
461,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+++---++--+-
462,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+++---++---+
463,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+++---++----
464,1927.95931460612,1928.96713963832,964.987482335259,"[('C', 13), ('N', 15)]",+++---+-++++
465,1923.95221520645,1924.96004023865,962.983932635423,"[('C', 13), ('N', 15)]",+++---+-+++-
466,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",+++---+-++-+
467,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",+++---+-++--
468,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+++---+-+-++
469,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+++---+-+-+-
470,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+++---+-+--+
471,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+++---+-+---
472,1923.95221520645,1924.96004023865,962.983932635423,"[('C', 13), ('N', 15)]",+++---+--+++
473,1919.94511580677,1920.95294083897,960.980382935587,"[('C', 13), ('N', 15)]",+++---+--++-
474,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",+++---+--+-+
475,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",+++---+--+--
476,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+++---+---++
477,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",+++---+---+-
478,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+++---+----+
479,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+++---+-----
480,1924.95557004152,1925.96339507372,963.485610052959,"[('C', 13), ('N', 15)]",+++----+++++
481,1920.94847064185,1921.95629567405,961.482060353124,"[('C', 13), ('N', 15)]",+++----++++-
482,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",+++----+++-+
483,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",+++----+++--
484,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",+++----++-++
485,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+++----++-+-
486,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+++----++--+
487,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+++----++---
488,1920.94847064185,1921.95629567405,961.482060353124,"[('C', 13), ('N', 15)]",+++----+-+++
489,1916.94137124218,1917.94919627438,959.478510653288,"[('C', 13), ('N', 15)]",+++----+-++-
490,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",+++----+-+-+
491,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",+++----+-+--
492,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+++----+--++
493,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",+++----+--+-
494,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+++----+---+
495,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",+++----+----
496,1918.9417609717,1919.9495860039,960.478705518051,"[('C', 13), ('N', 15)]",+++-----++++
497,1914.93466157203,1915.94248660423,958.475155818216,"[('C', 13), ('N', 15)]",+++-----+++-
498,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",+++-----++-+
499,1905.910787997,1906.9186130292,953.963219030699,"[('C', 13), ('N', 15)]",+++-----++--
500,1906.90782289145,1907.91564792365,954.461736477926,"[('C', 13), ('N', 15)]",+++-----+-++
501,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",+++-----+-+-
502,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",+++-----+--+
503,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",+++-----+---
504,1914.93466157203,1915.94248660423,958.475155818216,"[('C', 13), ('N', 15)]",+++------+++
505,1910.92756217236,1911.93538720456,956.47160611838,"[('C', 13), ('N', 15)]",+++------++-
506,1905.910787997,1906.9186130292,953.963219030699,"[('C', 13), ('N', 15)]",+++------+-+
507,1901.90368859733,1902.91151362953,951.959669330864,"[('C', 13), ('N', 15)]",+++------+--
508,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",+++-------++
509,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",+++-------+-
510,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",+++--------+
511,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",+++---------
512,1949.00448638016,1950.01231141236,975.510068222282,"[('C', 13), ('N', 15)]",++-+++++++++
513,1944.99738698049,1946.00521201269,973.506518522446,"[('C', 13), ('N', 15)]",++-++++++++-
514,1939.98061280513,1940.98843783733,970.998131434766,"[('C', 13), ('N', 15)]",++-+++++++-+
515,1935.97351340546,1936.98133843766,968.99458173493,"[('C', 13), ('N', 15)]",++-+++++++--
516,1936.97054829991,1937.97837333211,969.493099182157,"[('C', 13), ('N', 15)]",++-++++++-++
517,1932.96344890024,1933.97127393244,967.489549482321,"[('C', 13), ('N', 15)]",++-++++++-+-
518,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",++-++++++--+
519,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",++-++++++---
520,1944.99738698049,1946.00521201269,973.506518522446,"[('C', 13), ('N', 15)]",++-+++++-+++
521,1940.99028758082,1941.99811261302,971.502968822611,"[('C', 13), ('N', 15)]",++-+++++-++-
522,1935.97351340546,1936.98133843766,968.99458173493,"[('C', 13), ('N', 15)]",++-+++++-+-+
523,1931.96641400579,1932.97423903799,966.991032035094,"[('C', 13), ('N', 15)]",++-+++++-+--
524,1932.96344890024,1933.97127393244,967.489549482321,"[('C', 13), ('N', 15)]",++-+++++--++
525,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",++-+++++--+-
526,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",++-+++++---+
527,1919.93247592554,1920.94030095774,960.97406299497,"[('C', 13), ('N', 15)]",++-+++++----
528,1942.99067731035,1943.99850234255,972.503163687374,"[('C', 13), ('N', 15)]",++-++++-++++
529,1938.98357791068,1939.99140294288,970.499613987538,"[('C', 13), ('N', 15)]",++-++++-+++-
530,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",++-++++-++-+
531,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",++-++++-++--
532,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",++-++++-+-++
533,1926.94963983043,1927.95746486263,964.482644947413,"[('C', 13), ('N', 15)]",++-++++-+-+-
534,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",++-++++-+--+
535,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",++-++++-+---
536,1938.98357791068,1939.99140294288,970.499613987538,"[('C', 13), ('N', 15)]",++-++++--+++
537,1934.97647851101,1935.98430354321,968.496064287703,"[('C', 13), ('N', 15)]",++-++++--++-
538,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",++-++++--+-+
539,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",++-++++--+--
540,1926.94963983043,1927.95746486263,964.482644947413,"[('C', 13), ('N', 15)]",++-++++---++
541,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",++-++++---+-
542,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",++-++++----+
543,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",++-++++-----
544,1939.98693274575,1940.99475777795,971.001291405075,"[('C', 13), ('N', 15)]",++-+++-+++++
545,1935.97983334608,1936.98765837828,968.997741705239,"[('C', 13), ('N', 15)]",++-+++-++++-
546,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",++-+++-+++-+
547,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",++-+++-+++--
548,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",++-+++-++-++
549,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",++-+++-++-+-
550,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",++-+++-++--+
551,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",++-+++-++---
552,1935.97983334608,1936.98765837828,968.997741705239,"[('C', 13), ('N', 15)]",++-+++-+-+++
553,1931.97273394641,1932.98055897861,966.994192005403,"[('C', 13), ('N', 15)]",++-+++-+-++-
554,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",++-+++-+-+-+
555,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",++-+++-+-+--
556,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",++-+++-+--++
557,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",++-+++-+--+-
558,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",++-+++-+---+
559,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",++-+++-+----
560,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",++-+++--++++
561,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++-+++--+++-
562,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",++-+++--++-+
563,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++-+++--++--
564,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",++-+++--+-++
565,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++-+++--+-+-
566,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",++-+++--+--+
567,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++-+++--+---
568,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++-+++---+++
569,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",++-+++---++-
570,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++-+++---+-+
571,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",++-+++---+--
572,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++-+++----++
573,1913.92498679634,1914.93281182854,957.97031843037,"[('C', 13), ('N', 15)]",++-+++----+-
574,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++-+++-----+
575,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",++-+++------
576,1944.99738698049,1946.00521201269,973.506518522446,"[('C', 13), ('N', 15)]",++-++-++++++
577,1940.99028758082,1941.99811261302,971.502968822611,"[('C', 13), ('N', 15)]",++-++-+++++-
578,1935.97351340546,1936.98133843766,968.99458173493,"[('C', 13), ('N', 15)]",++-++-++++-+
579,1931.96641400579,1932.97423903799,966.991032035094,"[('C', 13), ('N', 15)]",++-++-++++--
580,1932.96344890024,1933.97127393244,967.489549482321,"[('C', 13), ('N', 15)]",++-++-+++-++
581,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",++-++-+++-+-
582,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",++-++-+++--+
583,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",++-++-+++---
584,1940.99028758082,1941.99811261302,971.502968822611,"[('C', 13), ('N', 15)]",++-++-++-+++
585,1936.98318818115,1937.99101321335,969.499419122775,"[('C', 13), ('N', 15)]",++-++-++-++-
586,1931.96641400579,1932.97423903799,966.991032035094,"[('C', 13), ('N', 15)]",++-++-++-+-+
587,1927.95931460612,1928.96713963832,964.987482335259,"[('C', 13), ('N', 15)]",++-++-++-+--
588,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",++-++-++--++
589,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",++-++-++--+-
590,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",++-++-++---+
591,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",++-++-++----
592,1938.98357791068,1939.99140294288,970.499613987538,"[('C', 13), ('N', 15)]",++-++-+-++++
593,1934.97647851101,1935.98430354321,968.496064287703,"[('C', 13), ('N', 15)]",++-++-+-+++-
594,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",++-++-+-++-+
595,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",++-++-+-++--
596,1926.94963983043,1927.95746486263,964.482644947413,"[('C', 13), ('N', 15)]",++-++-+-+-++
597,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",++-++-+-+-+-
598,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",++-++-+-+--+
599,1913.91866685572,1914.92649188792,957.967158460061,"[('C', 13), ('N', 15)]",++-++-+-+---
600,1934.97647851101,1935.98430354321,968.496064287703,"[('C', 13), ('N', 15)]",++-++-+--+++
601,1930.96937911133,1931.97720414353,966.492514587867,"[('C', 13), ('N', 15)]",++-++-+--++-
602,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",++-++-+--+-+
603,1921.9455055363,1922.9533305685,961.980577800351,"[('C', 13), ('N', 15)]",++-++-+--+--
604,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",++-++-+---++
605,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",++-++-+---+-
606,1913.91866685572,1914.92649188792,957.967158460061,"[('C', 13), ('N', 15)]",++-++-+----+
607,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",++-++-+-----
608,1935.97983334608,1936.98765837828,968.997741705239,"[('C', 13), ('N', 15)]",++-++--+++++
609,1931.97273394641,1932.98055897861,966.994192005403,"[('C', 13), ('N', 15)]",++-++--++++-
610,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",++-++--+++-+
611,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",++-++--+++--
612,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",++-++--++-++
613,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",++-++--++-+-
614,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",++-++--++--+
615,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",++-++--++---
616,1931.97273394641,1932.98055897861,966.994192005403,"[('C', 13), ('N', 15)]",++-++--+-+++
617,1927.96563454674,1928.97345957894,964.990642305568,"[('C', 13), ('N', 15)]",++-++--+-++-
618,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",++-++--+-+-+
619,1918.9417609717,1919.9495860039,960.478705518051,"[('C', 13), ('N', 15)]",++-++--+-+--
620,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",++-++--+--++
621,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",++-++--+--+-
622,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",++-++--+---+
623,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",++-++--+----
624,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++-++---++++
625,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",++-++---+++-
626,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++-++---++-+
627,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",++-++---++--
628,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++-++---+-++
629,1913.92498679634,1914.93281182854,957.97031843037,"[('C', 13), ('N', 15)]",++-++---+-+-
630,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++-++---+--+
631,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",++-++---+---
632,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",++-++----+++
633,1921.95182547692,1922.95965050912,961.98373777066,"[('C', 13), ('N', 15)]",++-++----++-
634,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",++-++----+-+
635,1912.92795190189,1913.93577693409,957.471800983143,"[('C', 13), ('N', 15)]",++-++----+--
636,1913.92498679634,1914.93281182854,957.97031843037,"[('C', 13), ('N', 15)]",++-++-----++
637,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",++-++-----+-
638,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",++-++------+
639,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",++-++-------
640,1939.98693274575,1940.99475777795,971.001291405075,"[('C', 13), ('N', 15)]",++-+-+++++++
641,1935.97983334608,1936.98765837828,968.997741705239,"[('C', 13), ('N', 15)]",++-+-++++++-
642,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",++-+-+++++-+
643,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",++-+-+++++--
644,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",++-+-++++-++
645,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",++-+-++++-+-
646,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",++-+-++++--+
647,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",++-+-++++---
648,1935.97983334608,1936.98765837828,968.997741705239,"[('C', 13), ('N', 15)]",++-+-+++-+++
649,1931.97273394641,1932.98055897861,966.994192005403,"[('C', 13), ('N', 15)]",++-+-+++-++-
650,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",++-+-+++-+-+
651,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",++-+-+++-+--
652,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",++-+-+++--++
653,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",++-+-+++--+-
654,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",++-+-+++---+
655,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",++-+-+++----
656,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",++-+-++-++++
657,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++-+-++-+++-
658,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",++-+-++-++-+
659,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++-+-++-++--
660,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",++-+-++-+-++
661,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++-+-++-+-+-
662,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",++-+-++-+--+
663,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++-+-++-+---
664,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++-+-++--+++
665,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",++-+-++--++-
666,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++-+-++--+-+
667,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",++-+-++--+--
668,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++-+-++---++
669,1913.92498679634,1914.93281182854,957.97031843037,"[('C', 13), ('N', 15)]",++-+-++---+-
670,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++-+-++----+
671,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",++-+-++-----
672,1930.96937911133,1931.97720414353,966.492514587867,"[('C', 13), ('N', 15)]",++-+-+-+++++
673,1926.96227971166,1927.97010474386,964.488964888032,"[('C', 13), ('N', 15)]",++-+-+-++++-
674,1921.9455055363,1922.9533305685,961.980577800351,"[('C', 13), ('N', 15)]",++-+-+-+++-+
675,1917.93840613663,1918.94623116883,959.977028100515,"[('C', 13), ('N', 15)]",++-+-+-+++--
676,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",++-+-+-++-++
677,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",++-+-+-++-+-
678,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",++-+-+-++--+
679,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",++-+-+-++---
680,1926.96227971166,1927.97010474386,964.488964888032,"[('C', 13), ('N', 15)]",++-+-+-+-+++
681,1922.95518031199,1923.96300534419,962.485415188196,"[('C', 13), ('N', 15)]",++-+-+-+-++-
682,1917.93840613663,1918.94623116883,959.977028100515,"[('C', 13), ('N', 15)]",++-+-+-+-+-+
683,1913.93130673696,1914.93913176916,957.97347840068,"[('C', 13), ('N', 15)]",++-+-+-+-+--
684,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",++-+-+-+--++
685,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",++-+-+-+--+-
686,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",++-+-+-+---+
687,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",++-+-+-+----
688,1924.95557004152,1925.96339507372,963.485610052959,"[('C', 13), ('N', 15)]",++-+-+--++++
689,1920.94847064185,1921.95629567405,961.482060353124,"[('C', 13), ('N', 15)]",++-+-+--+++-
690,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",++-+-+--++-+
691,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",++-+-+--++--
692,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",++-+-+--+-++
693,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",++-+-+--+-+-
694,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",++-+-+--+--+
695,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",++-+-+--+---
696,1920.94847064185,1921.95629567405,961.482060353124,"[('C', 13), ('N', 15)]",++-+-+---+++
697,1916.94137124218,1917.94919627438,959.478510653288,"[('C', 13), ('N', 15)]",++-+-+---++-
698,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",++-+-+---+-+
699,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",++-+-+---+--
700,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",++-+-+----++
701,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",++-+-+----+-
702,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",++-+-+-----+
703,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",++-+-+------
704,1935.97983334608,1936.98765837828,968.997741705239,"[('C', 13), ('N', 15)]",++-+--++++++
705,1931.97273394641,1932.98055897861,966.994192005403,"[('C', 13), ('N', 15)]",++-+--+++++-
706,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",++-+--++++-+
707,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",++-+--++++--
708,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",++-+--+++-++
709,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",++-+--+++-+-
710,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",++-+--+++--+
711,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",++-+--+++---
712,1931.97273394641,1932.98055897861,966.994192005403,"[('C', 13), ('N', 15)]",++-+--++-+++
713,1927.96563454674,1928.97345957894,964.990642305568,"[('C', 13), ('N', 15)]",++-+--++-++-
714,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",++-+--++-+-+
715,1918.9417609717,1919.9495860039,960.478705518051,"[('C', 13), ('N', 15)]",++-+--++-+--
716,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",++-+--++--++
717,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",++-+--++--+-
718,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",++-+--++---+
719,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",++-+--++----
720,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++-+--+-++++
721,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",++-+--+-+++-
722,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++-+--+-++-+
723,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",++-+--+-++--
724,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++-+--+-+-++
725,1913.92498679634,1914.93281182854,957.97031843037,"[('C', 13), ('N', 15)]",++-+--+-+-+-
726,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++-+--+-+--+
727,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",++-+--+-+---
728,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",++-+--+--+++
729,1921.95182547692,1922.95965050912,961.98373777066,"[('C', 13), ('N', 15)]",++-+--+--++-
730,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",++-+--+--+-+
731,1912.92795190189,1913.93577693409,957.471800983143,"[('C', 13), ('N', 15)]",++-+--+--+--
732,1913.92498679634,1914.93281182854,957.97031843037,"[('C', 13), ('N', 15)]",++-+--+---++
733,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",++-+--+---+-
734,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",++-+--+----+
735,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",++-+--+-----
736,1926.96227971166,1927.97010474386,964.488964888031,"[('C', 13), ('N', 15)]",++-+---+++++
737,1922.95518031199,1923.96300534419,962.485415188196,"[('C', 13), ('N', 15)]",++-+---++++-
738,1917.93840613663,1918.94623116883,959.977028100515,"[('C', 13), ('N', 15)]",++-+---+++-+
739,1913.93130673696,1914.93913176916,957.97347840068,"[('C', 13), ('N', 15)]",++-+---+++--
740,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",++-+---++-++
741,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",++-+---++-+-
742,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",++-+---++--+
743,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",++-+---++---
744,1922.95518031199,1923.96300534419,962.485415188196,"[('C', 13), ('N', 15)]",++-+---+-+++
745,1918.94808091232,1919.95590594452,960.48186548836,"[('C', 13), ('N', 15)]",++-+---+-++-
746,1913.93130673696,1914.93913176916,957.97347840068,"[('C', 13), ('N', 15)]",++-+---+-+-+
747,1909.92420733729,1910.93203236949,955.969928700844,"[('C', 13), ('N', 15)]",++-+---+-+--
748,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",++-+---+--++
749,1906.91414283207,1907.92196786427,954.464896448235,"[('C', 13), ('N', 15)]",++-+---+--+-
750,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",++-+---+---+
751,1897.89026925704,1898.89809428924,949.952959660719,"[('C', 13), ('N', 15)]",++-+---+----
752,1920.94847064185,1921.95629567405,961.482060353123,"[('C', 13), ('N', 15)]",++-+----++++
753,1916.94137124218,1917.94919627438,959.478510653288,"[('C', 13), ('N', 15)]",++-+----+++-
754,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",++-+----++-+
755,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",++-+----++--
756,1908.9145325616,1909.9223575938,955.465091312998,"[('C', 13), ('N', 15)]",++-+----+-++
757,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",++-+----+-+-
758,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",++-+----+--+
759,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",++-+----+---
760,1916.94137124218,1917.94919627438,959.478510653288,"[('C', 13), ('N', 15)]",++-+-----+++
761,1912.9342718425,1913.9420968747,957.474960953452,"[('C', 13), ('N', 15)]",++-+-----++-
762,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",++-+-----+-+
763,1903.91039826747,1904.91822329967,952.963024165936,"[('C', 13), ('N', 15)]",++-+-----+--
764,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",++-+------++
765,1900.90033376225,1901.90815879445,951.457991913327,"[('C', 13), ('N', 15)]",++-+------+-
766,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",++-+-------+
767,1891.87646018722,1892.88428521942,946.946055125811,"[('C', 13), ('N', 15)]",++-+--------
768,1942.99067731035,1943.99850234255,972.503163687374,"[('C', 13), ('N', 15)]",++--++++++++
769,1938.98357791068,1939.99140294288,970.499613987539,"[('C', 13), ('N', 15)]",++--+++++++-
770,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",++--++++++-+
771,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",++--++++++--
772,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",++--+++++-++
773,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",++--+++++-+-
774,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",++--+++++--+
775,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",++--+++++---
776,1938.98357791068,1939.99140294288,970.499613987539,"[('C', 13), ('N', 15)]",++--++++-+++
777,1934.97647851101,1935.98430354321,968.496064287703,"[('C', 13), ('N', 15)]",++--++++-++-
778,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",++--++++-+-+
779,1925.95260493597,1926.96042996817,963.984127500187,"[('C', 13), ('N', 15)]",++--++++-+--
780,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",++--++++--++
781,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",++--++++--+-
782,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",++--++++---+
783,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",++--++++----
784,1936.97686824053,1937.98469327273,969.496259152466,"[('C', 13), ('N', 15)]",++--+++-++++
785,1932.96976884086,1933.97759387306,967.492709452631,"[('C', 13), ('N', 15)]",++--+++-+++-
786,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",++--+++-++-+
787,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",++--+++-++--
788,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",++--+++-+-++
789,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",++--+++-+-+-
790,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",++--+++-+--+
791,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",++--+++-+---
792,1932.96976884086,1933.97759387306,967.492709452631,"[('C', 13), ('N', 15)]",++--+++--+++
793,1928.96266944119,1929.97049447339,965.489159752795,"[('C', 13), ('N', 15)]",++--+++--++-
794,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",++--+++--+-+
795,1919.93879586616,1920.94662089836,960.977222965279,"[('C', 13), ('N', 15)]",++--+++--+--
796,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",++--+++---++
797,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",++--+++---+-
798,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",++--+++----+
799,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",++--+++-----
800,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",++--++-+++++
801,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++--++-++++-
802,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",++--++-+++-+
803,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++--++-+++--
804,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",++--++-++-++
805,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++--++-++-+-
806,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",++--++-++--+
807,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++--++-++---
808,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++--++-+-+++
809,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",++--++-+-++-
810,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++--++-+-+-+
811,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",++--++-+-+--
812,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++--++-+--++
813,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",++--++-+--+-
814,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++--++-+---+
815,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",++--++-+----
816,1927.95931460612,1928.96713963832,964.987482335259,"[('C', 13), ('N', 15)]",++--++--++++
817,1923.95221520645,1924.96004023865,962.983932635423,"[('C', 13), ('N', 15)]",++--++--+++-
818,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",++--++--++-+
819,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",++--++--++--
820,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",++--++--+-++
821,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",++--++--+-+-
822,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",++--++--+--+
823,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",++--++--+---
824,1923.95221520645,1924.96004023865,962.983932635423,"[('C', 13), ('N', 15)]",++--++---+++
825,1919.94511580677,1920.95294083897,960.980382935587,"[('C', 13), ('N', 15)]",++--++---++-
826,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",++--++---+-+
827,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",++--++---+--
828,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",++--++----++
829,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",++--++----+-
830,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",++--++-----+
831,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",++--++------
832,1938.98357791068,1939.99140294288,970.499613987538,"[('C', 13), ('N', 15)]",++--+-++++++
833,1934.97647851101,1935.98430354321,968.496064287703,"[('C', 13), ('N', 15)]",++--+-+++++-
834,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",++--+-++++-+
835,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",++--+-++++--
836,1926.94963983043,1927.95746486263,964.482644947413,"[('C', 13), ('N', 15)]",++--+-+++-++
837,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",++--+-+++-+-
838,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",++--+-+++--+
839,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",++--+-+++---
840,1934.97647851101,1935.98430354321,968.496064287703,"[('C', 13), ('N', 15)]",++--+-++-+++
841,1930.96937911133,1931.97720414353,966.492514587867,"[('C', 13), ('N', 15)]",++--+-++-++-
842,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",++--+-++-+-+
843,1921.9455055363,1922.9533305685,961.980577800351,"[('C', 13), ('N', 15)]",++--+-++-+--
844,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",++--+-++--++
845,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",++--+-++--+-
846,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",++--+-++---+
847,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",++--+-++----
848,1932.96976884086,1933.97759387306,967.49270945263,"[('C', 13), ('N', 15)]",++--+-+-++++
849,1928.96266944119,1929.97049447339,965.489159752795,"[('C', 13), ('N', 15)]",++--+-+-+++-
850,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",++--+-+-++-+
851,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",++--+-+-++--
852,1920.93583076061,1921.94365579281,961.475740412505,"[('C', 13), ('N', 15)]",++--+-+-+-++
853,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",++--+-+-+-+-
854,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",++--+-+-+--+
855,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",++--+-+-+---
856,1928.96266944119,1929.97049447339,965.489159752795,"[('C', 13), ('N', 15)]",++--+-+--+++
857,1924.95557004152,1925.96339507372,963.485610052959,"[('C', 13), ('N', 15)]",++--+-+--++-
858,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",++--+-+--+-+
859,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",++--+-+--+--
860,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",++--+-+---++
861,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",++--+-+---+-
862,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",++--+-+----+
863,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",++--+-+-----
864,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++--+--+++++
865,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",++--+--++++-
866,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++--+--+++-+
867,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",++--+--+++--
868,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++--+--++-++
869,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",++--+--++-+-
870,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++--+--++--+
871,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",++--+--++---
872,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",++--+--+-+++
873,1921.95182547692,1922.95965050912,961.98373777066,"[('C', 13), ('N', 15)]",++--+--+-++-
874,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",++--+--+-+-+
875,1912.92795190189,1913.93577693409,957.471800983143,"[('C', 13), ('N', 15)]",++--+--+-+--
876,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",++--+--+--++
877,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",++--+--+--+-
878,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",++--+--+---+
879,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",++--+--+----
880,1923.95221520645,1924.96004023865,962.983932635423,"[('C', 13), ('N', 15)]",++--+---++++
881,1919.94511580677,1920.95294083897,960.980382935587,"[('C', 13), ('N', 15)]",++--+---+++-
882,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",++--+---++-+
883,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",++--+---++--
884,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",++--+---+-++
885,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",++--+---+-+-
886,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",++--+---+--+
887,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",++--+---+---
888,1919.94511580677,1920.95294083897,960.980382935587,"[('C', 13), ('N', 15)]",++--+----+++
889,1915.9380164071,1916.9458414393,958.976833235752,"[('C', 13), ('N', 15)]",++--+----++-
890,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",++--+----+-+
891,1906.91414283207,1907.92196786427,954.464896448235,"[('C', 13), ('N', 15)]",++--+----+--
892,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",++--+-----++
893,1903.90407832685,1904.91190335905,952.959864195627,"[('C', 13), ('N', 15)]",++--+-----+-
894,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",++--+------+
895,1894.88020475182,1895.88802978402,948.447927408111,"[('C', 13), ('N', 15)]",++--+-------
896,1933.97312367593,1934.98094870813,967.994386870167,"[('C', 13), ('N', 15)]",++---+++++++
897,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++---++++++-
898,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",++---+++++-+
899,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++---+++++--
900,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",++---++++-++
901,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++---++++-+-
902,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",++---++++--+
903,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++---++++---
904,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++---+++-+++
905,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",++---+++-++-
906,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++---+++-+-+
907,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",++---+++-+--
908,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++---+++--++
909,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",++---+++--+-
910,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++---+++---+
911,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",++---+++----
912,1927.95931460612,1928.96713963832,964.987482335259,"[('C', 13), ('N', 15)]",++---++-++++
913,1923.95221520645,1924.96004023865,962.983932635423,"[('C', 13), ('N', 15)]",++---++-+++-
914,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",++---++-++-+
915,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",++---++-++--
916,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",++---++-+-++
917,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",++---++-+-+-
918,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",++---++-+--+
919,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",++---++-+---
920,1923.95221520645,1924.96004023865,962.983932635423,"[('C', 13), ('N', 15)]",++---++--+++
921,1919.94511580677,1920.95294083897,960.980382935587,"[('C', 13), ('N', 15)]",++---++--++-
922,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",++---++--+-+
923,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",++---++--+--
924,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",++---++---++
925,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",++---++---+-
926,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",++---++----+
927,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",++---++-----
928,1924.95557004152,1925.96339507372,963.485610052959,"[('C', 13), ('N', 15)]",++---+-+++++
929,1920.94847064185,1921.95629567405,961.482060353124,"[('C', 13), ('N', 15)]",++---+-++++-
930,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",++---+-+++-+
931,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",++---+-+++--
932,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",++---+-++-++
933,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",++---+-++-+-
934,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",++---+-++--+
935,1899.89065898657,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",++---+-++---
936,1920.94847064185,1921.95629567405,961.482060353124,"[('C', 13), ('N', 15)]",++---+-+-+++
937,1916.94137124218,1917.94919627438,959.478510653288,"[('C', 13), ('N', 15)]",++---+-+-++-
938,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",++---+-+-+-+
939,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",++---+-+-+--
940,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",++---+-+--++
941,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",++---+-+--+-
942,1899.89065898657,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",++---+-+---+
943,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",++---+-+----
944,1918.9417609717,1919.9495860039,960.478705518051,"[('C', 13), ('N', 15)]",++---+--++++
945,1914.93466157203,1915.94248660423,958.475155818216,"[('C', 13), ('N', 15)]",++---+--+++-
946,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",++---+--++-+
947,1905.910787997,1906.9186130292,953.963219030699,"[('C', 13), ('N', 15)]",++---+--++--
948,1906.90782289145,1907.91564792365,954.461736477926,"[('C', 13), ('N', 15)]",++---+--+-++
949,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",++---+--+-+-
950,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",++---+--+--+
951,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",++---+--+---
952,1914.93466157203,1915.94248660423,958.475155818216,"[('C', 13), ('N', 15)]",++---+---+++
953,1910.92756217236,1911.93538720456,956.47160611838,"[('C', 13), ('N', 15)]",++---+---++-
954,1905.910787997,1906.9186130292,953.963219030699,"[('C', 13), ('N', 15)]",++---+---+-+
955,1901.90368859733,1902.91151362953,951.959669330864,"[('C', 13), ('N', 15)]",++---+---+--
956,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",++---+----++
957,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",++---+----+-
958,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",++---+-----+
959,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",++---+------
960,1929.96602427626,1930.97384930846,965.990837170331,"[('C', 13), ('N', 15)]",++----++++++
961,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",++----+++++-
962,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",++----++++-+
963,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",++----++++--
964,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",++----+++-++
965,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",++----+++-+-
966,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",++----+++--+
967,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",++----+++---
968,1925.95892487659,1926.96674990879,963.987287470495,"[('C', 13), ('N', 15)]",++----++-+++
969,1921.95182547692,1922.95965050912,961.98373777066,"[('C', 13), ('N', 15)]",++----++-++-
970,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",++----++-+-+
971,1912.92795190189,1913.93577693409,957.471800983143,"[('C', 13), ('N', 15)]",++----++-+--
972,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",++----++--++
973,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",++----++--+-
974,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",++----++---+
975,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",++----++----
976,1923.95221520645,1924.96004023865,962.983932635423,"[('C', 13), ('N', 15)]",++----+-++++
977,1919.94511580677,1920.95294083897,960.980382935587,"[('C', 13), ('N', 15)]",++----+-+++-
978,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",++----+-++-+
979,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",++----+-++--
980,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",++----+-+-++
981,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",++----+-+-+-
982,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",++----+-+--+
983,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",++----+-+---
984,1919.94511580677,1920.95294083897,960.980382935587,"[('C', 13), ('N', 15)]",++----+--+++
985,1915.9380164071,1916.9458414393,958.976833235752,"[('C', 13), ('N', 15)]",++----+--++-
986,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",++----+--+-+
987,1906.91414283207,1907.92196786427,954.464896448235,"[('C', 13), ('N', 15)]",++----+--+--
988,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",++----+---++
989,1903.90407832685,1904.91190335905,952.959864195627,"[('C', 13), ('N', 15)]",++----+---+-
990,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",++----+----+
991,1894.88020475182,1895.88802978402,948.447927408111,"[('C', 13), ('N', 15)]",++----+-----
992,1920.94847064185,1921.95629567405,961.482060353124,"[('C', 13), ('N', 15)]",++-----+++++
993,1916.94137124218,1917.94919627438,959.478510653288,"[('C', 13), ('N', 15)]",++-----++++-
994,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",++-----+++-+
995,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",++-----+++--
996,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",++-----++-++
997,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",++-----++-+-
998,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",++-----++--+
999,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",++-----++---
1000,1916.94137124218,1917.94919627438,959.478510653288,"[('C', 13), ('N', 15)]",++-----+-+++
1001,1912.9342718425,1913.9420968747,957.474960953452,"[('C', 13), ('N', 15)]",++-----+-++-
1002,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",++-----+-+-+
1003,1903.91039826747,1904.91822329967,952.963024165936,"[('C', 13), ('N', 15)]",++-----+-+--
1004,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",++-----+--++
1005,1900.90033376225,1901.90815879445,951.457991913327,"[('C', 13), ('N', 15)]",++-----+--+-
1006,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",++-----+---+
1007,1891.87646018722,1892.88428521942,946.946055125811,"[('C', 13), ('N', 15)]",++-----+----
1008,1914.93466157203,1915.94248660423,958.475155818216,"[('C', 13), ('N', 15)]",++------++++
1009,1910.92756217236,1911.93538720456,956.47160611838,"[('C', 13), ('N', 15)]",++------+++-
1010,1905.910787997,1906.9186130292,953.963219030699,"[('C', 13), ('N', 15)]",++------++-+
1011,1901.90368859733,1902.91151362953,951.959669330864,"[('C', 13), ('N', 15)]",++------++--
1012,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",++------+-++
1013,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",++------+-+-
1014,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",++------+--+
1015,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",++------+---
1016,1910.92756217236,1911.93538720456,956.47160611838,"[('C', 13), ('N', 15)]",++-------+++
1017,1906.92046277269,1907.92828780489,954.468056418544,"[('C', 13), ('N', 15)]",++-------++-
1018,1901.90368859733,1902.91151362953,951.959669330864,"[('C', 13), ('N', 15)]",++-------+-+
1019,1897.89658919766,1898.90441422986,949.956119631028,"[('C', 13), ('N', 15)]",++-------+--
1020,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",++--------++
1021,1894.88652469244,1895.89434972464,948.451087378419,"[('C', 13), ('N', 15)]",++--------+-
1022,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",++---------+
1023,1885.86265111741,1886.87047614961,943.939150590903,"[('C', 13), ('N', 15)]",++----------
1024,1940.97764769959,1941.98547273179,971.496648881993,"[('C', 13), ('N', 15)]",+-++++++++++
1025,1936.97054829991,1937.97837333211,969.493099182157,"[('C', 13), ('N', 15)]",+-+++++++++-
1026,1931.95377412455,1932.96159915675,966.984712094477,"[('C', 13), ('N', 15)]",+-++++++++-+
1027,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",+-++++++++--
1028,1928.94370961934,1929.95153465154,965.479679841868,"[('C', 13), ('N', 15)]",+-+++++++-++
1029,1924.93661021966,1925.94443525186,963.476130142032,"[('C', 13), ('N', 15)]",+-+++++++-+-
1030,1919.9198360443,1920.9276610765,960.967743054352,"[('C', 13), ('N', 15)]",+-+++++++--+
1031,1915.91273664463,1916.92056167683,958.964193354516,"[('C', 13), ('N', 15)]",+-+++++++---
1032,1936.97054829991,1937.97837333211,969.493099182157,"[('C', 13), ('N', 15)]",+-++++++-+++
1033,1932.96344890024,1933.97127393244,967.489549482322,"[('C', 13), ('N', 15)]",+-++++++-++-
1034,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",+-++++++-+-+
1035,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",+-++++++-+--
1036,1924.93661021966,1925.94443525186,963.476130142032,"[('C', 13), ('N', 15)]",+-++++++--++
1037,1920.92951081999,1921.93733585219,961.472580442197,"[('C', 13), ('N', 15)]",+-++++++--+-
1038,1915.91273664463,1916.92056167683,958.964193354516,"[('C', 13), ('N', 15)]",+-++++++---+
1039,1911.90563724496,1912.91346227716,956.96064365468,"[('C', 13), ('N', 15)]",+-++++++----
1040,1934.96383862977,1935.97166366197,968.489744347085,"[('C', 13), ('N', 15)]",+-+++++-++++
1041,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+-+++++-+++-
1042,1925.93996505474,1926.94779008694,963.977807559569,"[('C', 13), ('N', 15)]",+-+++++-++-+
1043,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+-+++++-++--
1044,1922.92990054952,1923.93772558172,962.47277530696,"[('C', 13), ('N', 15)]",+-+++++-+-++
1045,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",+-+++++-+-+-
1046,1913.90602697449,1914.91385200669,957.960838519444,"[('C', 13), ('N', 15)]",+-+++++-+--+
1047,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",+-+++++-+---
1048,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+-+++++--+++
1049,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",+-+++++--++-
1050,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+-+++++--+-+
1051,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+-+++++--+--
1052,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",+-+++++---++
1053,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",+-+++++---+-
1054,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",+-+++++----+
1055,1905.89182817515,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",+-+++++-----
1056,1931.96009406517,1932.96791909737,966.987872064785,"[('C', 13), ('N', 15)]",+-++++-+++++
1057,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",+-++++-++++-
1058,1922.93622049014,1923.94404552234,962.475935277269,"[('C', 13), ('N', 15)]",+-++++-+++-+
1059,1918.92912109047,1919.93694612267,960.472385577434,"[('C', 13), ('N', 15)]",+-++++-+++--
1060,1919.92615598492,1920.93398101712,960.970903024661,"[('C', 13), ('N', 15)]",+-++++-++-++
1061,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+-++++-++-+-
1062,1910.90228240989,1911.91010744209,956.458966237144,"[('C', 13), ('N', 15)]",+-++++-++--+
1063,1906.89518301022,1907.90300804242,954.455416537309,"[('C', 13), ('N', 15)]",+-++++-++---
1064,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",+-++++-+-+++
1065,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+-++++-+-++-
1066,1918.92912109047,1919.93694612267,960.472385577434,"[('C', 13), ('N', 15)]",+-++++-+-+-+
1067,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+-++++-+-+--
1068,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+-++++-+--++
1069,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+-++++-+--+-
1070,1906.89518301022,1907.90300804242,954.455416537309,"[('C', 13), ('N', 15)]",+-++++-+---+
1071,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",+-++++-+----
1072,1925.94628499536,1926.95411002755,963.980967529877,"[('C', 13), ('N', 15)]",+-++++--++++
1073,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+-++++--+++-
1074,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",+-++++--++-+
1075,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+-++++--++--
1076,1913.9123469151,1914.9201719473,957.963998489753,"[('C', 13), ('N', 15)]",+-++++--+-++
1077,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+-++++--+-+-
1078,1904.88847334007,1905.89629837227,953.452061702236,"[('C', 13), ('N', 15)]",+-++++--+--+
1079,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+-++++--+---
1080,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+-++++---+++
1081,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+-++++---++-
1082,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+-++++---+-+
1083,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+-++++---+--
1084,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+-++++----++
1085,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+-++++----+-
1086,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+-++++-----+
1087,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+-++++------
1088,1936.97054829991,1937.97837333211,969.493099182157,"[('C', 13), ('N', 15)]",+-+++-++++++
1089,1932.96344890024,1933.97127393244,967.489549482321,"[('C', 13), ('N', 15)]",+-+++-+++++-
1090,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",+-+++-++++-+
1091,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",+-+++-++++--
1092,1924.93661021966,1925.94443525186,963.476130142032,"[('C', 13), ('N', 15)]",+-+++-+++-++
1093,1920.92951081999,1921.93733585219,961.472580442197,"[('C', 13), ('N', 15)]",+-+++-+++-+-
1094,1915.91273664463,1916.92056167683,958.964193354516,"[('C', 13), ('N', 15)]",+-+++-+++--+
1095,1911.90563724496,1912.91346227716,956.96064365468,"[('C', 13), ('N', 15)]",+-+++-+++---
1096,1932.96344890024,1933.97127393244,967.489549482321,"[('C', 13), ('N', 15)]",+-+++-++-+++
1097,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",+-+++-++-++-
1098,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",+-+++-++-+-+
1099,1919.93247592554,1920.94030095774,960.97406299497,"[('C', 13), ('N', 15)]",+-+++-++-+--
1100,1920.92951081999,1921.93733585219,961.472580442197,"[('C', 13), ('N', 15)]",+-+++-++--++
1101,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",+-+++-++--+-
1102,1911.90563724496,1912.91346227716,956.96064365468,"[('C', 13), ('N', 15)]",+-+++-++---+
1103,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",+-+++-++----
1104,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+-+++-+-++++
1105,1926.94963983043,1927.95746486263,964.482644947413,"[('C', 13), ('N', 15)]",+-+++-+-+++-
1106,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+-+++-+-++-+
1107,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+-+++-+-++--
1108,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",+-+++-+-+-++
1109,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",+-+++-+-+-+-
1110,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",+-+++-+-+--+
1111,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",+-+++-+-+---
1112,1926.94963983043,1927.95746486263,964.482644947413,"[('C', 13), ('N', 15)]",+-+++-+--+++
1113,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",+-+++-+--++-
1114,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+-+++-+--+-+
1115,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",+-+++-+--+--
1116,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",+-+++-+---++
1117,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",+-+++-+---+-
1118,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",+-+++-+----+
1119,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",+-+++-+-----
1120,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",+-+++--+++++
1121,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+-+++--++++-
1122,1918.92912109047,1919.93694612267,960.472385577434,"[('C', 13), ('N', 15)]",+-+++--+++-+
1123,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+-+++--+++--
1124,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+-+++--++-++
1125,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+-+++--++-+-
1126,1906.89518301022,1907.90300804242,954.455416537309,"[('C', 13), ('N', 15)]",+-+++--++--+
1127,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",+-+++--++---
1128,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+-+++--+-+++
1129,1919.93879586616,1920.94662089836,960.977222965279,"[('C', 13), ('N', 15)]",+-+++--+-++-
1130,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+-+++--+-+-+
1131,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",+-+++--+-+--
1132,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+-+++--+--++
1133,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+-+++--+--+-
1134,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",+-+++--+---+
1135,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",+-+++--+----
1136,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+-+++---++++
1137,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+-+++---+++-
1138,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+-+++---++-+
1139,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+-+++---++--
1140,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+-+++---+-++
1141,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+-+++---+-+-
1142,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+-+++---+--+
1143,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+-+++---+---
1144,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+-+++----+++
1145,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+-+++----++-
1146,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+-+++----+-+
1147,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+-+++----+--
1148,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+-+++-----++
1149,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+-+++-----+-
1150,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+-+++------+
1151,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+-+++-------
1152,1931.96009406517,1932.96791909737,966.987872064785,"[('C', 13), ('N', 15)]",+-++-+++++++
1153,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",+-++-++++++-
1154,1922.93622049014,1923.94404552234,962.475935277269,"[('C', 13), ('N', 15)]",+-++-+++++-+
1155,1918.92912109047,1919.93694612267,960.472385577434,"[('C', 13), ('N', 15)]",+-++-+++++--
1156,1919.92615598492,1920.93398101712,960.970903024661,"[('C', 13), ('N', 15)]",+-++-++++-++
1157,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+-++-++++-+-
1158,1910.90228240989,1911.91010744209,956.458966237144,"[('C', 13), ('N', 15)]",+-++-++++--+
1159,1906.89518301022,1907.90300804242,954.455416537309,"[('C', 13), ('N', 15)]",+-++-++++---
1160,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",+-++-+++-+++
1161,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+-++-+++-++-
1162,1918.92912109047,1919.93694612267,960.472385577434,"[('C', 13), ('N', 15)]",+-++-+++-+-+
1163,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+-++-+++-+--
1164,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+-++-+++--++
1165,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+-++-+++--+-
1166,1906.89518301022,1907.90300804242,954.455416537309,"[('C', 13), ('N', 15)]",+-++-+++---+
1167,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",+-++-+++----
1168,1925.94628499536,1926.95411002755,963.980967529877,"[('C', 13), ('N', 15)]",+-++-++-++++
1169,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+-++-++-+++-
1170,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",+-++-++-++-+
1171,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+-++-++-++--
1172,1913.9123469151,1914.9201719473,957.963998489753,"[('C', 13), ('N', 15)]",+-++-++-+-++
1173,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+-++-++-+-+-
1174,1904.88847334007,1905.89629837227,953.452061702236,"[('C', 13), ('N', 15)]",+-++-++-+--+
1175,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+-++-++-+---
1176,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+-++-++--+++
1177,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+-++-++--++-
1178,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+-++-++--+-+
1179,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+-++-++--+--
1180,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+-++-++---++
1181,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+-++-++---+-
1182,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+-++-++----+
1183,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+-++-++-----
1184,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",+-++-+-+++++
1185,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",+-++-+-++++-
1186,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",+-++-+-+++-+
1187,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",+-++-+-+++--
1188,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",+-++-+-++-++
1189,1906.90150295083,1907.90932798304,954.458576507617,"[('C', 13), ('N', 15)]",+-++-+-++-+-
1190,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",+-++-+-++--+
1191,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",+-++-+-++---
1192,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",+-++-+-+-+++
1193,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",+-++-+-+-++-
1194,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",+-++-+-+-+-+
1195,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",+-++-+-+-+--
1196,1906.90150295083,1907.90932798304,954.458576507617,"[('C', 13), ('N', 15)]",+-++-+-+--++
1197,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+-++-+-+--+-
1198,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",+-++-+-+---+
1199,1893.87052997613,1894.87835500833,947.943090020266,"[('C', 13), ('N', 15)]",+-++-+-+----
1200,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",+-++-+--++++
1201,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",+-++-+--+++-
1202,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+-++-+--++-+
1203,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+-++-+--++--
1204,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",+-++-+--+-++
1205,1900.88769388102,1901.89551891322,951.451671972709,"[('C', 13), ('N', 15)]",+-++-+--+-+-
1206,1895.87091970566,1896.87874473786,948.943284885029,"[('C', 13), ('N', 15)]",+-++-+--+--+
1207,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",+-++-+--+---
1208,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",+-++-+---+++
1209,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+-++-+---++-
1210,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+-++-+---+-+
1211,1899.89065898657,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+-++-+---+--
1212,1900.88769388102,1901.89551891322,951.451671972709,"[('C', 13), ('N', 15)]",+-++-+----++
1213,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",+-++-+----+-
1214,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",+-++-+-----+
1215,1887.85672090632,1888.86454593852,944.936185485358,"[('C', 13), ('N', 15)]",+-++-+------
1216,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",+-++--++++++
1217,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+-++--+++++-
1218,1918.92912109047,1919.93694612267,960.472385577434,"[('C', 13), ('N', 15)]",+-++--++++-+
1219,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+-++--++++--
1220,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+-++--+++-++
1221,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+-++--+++-+-
1222,1906.89518301022,1907.90300804242,954.455416537309,"[('C', 13), ('N', 15)]",+-++--+++--+
1223,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",+-++--+++---
1224,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+-++--++-+++
1225,1919.93879586616,1920.94662089836,960.977222965279,"[('C', 13), ('N', 15)]",+-++--++-++-
1226,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+-++--++-+-+
1227,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",+-++--++-+--
1228,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+-++--++--++
1229,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+-++--++--+-
1230,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",+-++--++---+
1231,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",+-++--++----
1232,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+-++--+-++++
1233,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+-++--+-+++-
1234,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+-++--+-++-+
1235,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+-++--+-++--
1236,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+-++--+-+-++
1237,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+-++--+-+-+-
1238,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+-++--+-+--+
1239,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+-++--+-+---
1240,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+-++--+--+++
1241,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+-++--+--++-
1242,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+-++--+--+-+
1243,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+-++--+--+--
1244,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+-++--+---++
1245,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+-++--+---+-
1246,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+-++--+----+
1247,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+-++--+-----
1248,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",+-++---+++++
1249,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",+-++---++++-
1250,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",+-++---+++-+
1251,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",+-++---+++--
1252,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+-++---++-++
1253,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+-++---++-+-
1254,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",+-++---++--+
1255,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",+-++---++---
1256,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",+-++---+-+++
1257,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",+-++---+-++-
1258,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",+-++---+-+-+
1259,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",+-++---+-+--
1260,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+-++---+--++
1261,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+-++---+--+-
1262,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",+-++---+---+
1263,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",+-++---+----
1264,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",+-++----++++
1265,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+-++----+++-
1266,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+-++----++-+
1267,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+-++----++--
1268,1900.88769388102,1901.89551891322,951.451671972709,"[('C', 13), ('N', 15)]",+-++----+-++
1269,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",+-++----+-+-
1270,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",+-++----+--+
1271,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",+-++----+---
1272,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+-++-----+++
1273,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",+-++-----++-
1274,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+-++-----+-+
1275,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",+-++-----+--
1276,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",+-++------++
1277,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",+-++------+-
1278,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",+-++-------+
1279,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",+-++--------
1280,1934.96383862977,1935.97166366197,968.489744347085,"[('C', 13), ('N', 15)]",+-+-++++++++
1281,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+-+-+++++++-
1282,1925.93996505474,1926.94779008694,963.977807559569,"[('C', 13), ('N', 15)]",+-+-++++++-+
1283,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+-+-++++++--
1284,1922.92990054952,1923.93772558172,962.47277530696,"[('C', 13), ('N', 15)]",+-+-+++++-++
1285,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",+-+-+++++-+-
1286,1913.90602697449,1914.91385200669,957.960838519444,"[('C', 13), ('N', 15)]",+-+-+++++--+
1287,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",+-+-+++++---
1288,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+-+-++++-+++
1289,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",+-+-++++-++-
1290,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+-+-++++-+-+
1291,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+-+-++++-+--
1292,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",+-+-++++--++
1293,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",+-+-++++--+-
1294,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",+-+-++++---+
1295,1905.89182817515,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",+-+-++++----
1296,1928.95002955995,1929.95785459215,965.482839812177,"[('C', 13), ('N', 15)]",+-+-+++-++++
1297,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",+-+-+++-+++-
1298,1919.92615598492,1920.93398101712,960.970903024661,"[('C', 13), ('N', 15)]",+-+-+++-++-+
1299,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+-+-+++-++--
1300,1916.9160914797,1917.9239165119,959.465870772052,"[('C', 13), ('N', 15)]",+-+-+++-+-++
1301,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",+-+-+++-+-+-
1302,1907.89221790467,1908.90004293687,954.953933984536,"[('C', 13), ('N', 15)]",+-+-+++-+--+
1303,1903.885118505,1904.8929435372,952.9503842847,"[('C', 13), ('N', 15)]",+-+-+++-+---
1304,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",+-+-+++--+++
1305,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",+-+-+++--++-
1306,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+-+-+++--+-+
1307,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+-+-+++--+--
1308,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",+-+-+++---++
1309,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",+-+-+++---+-
1310,1903.885118505,1904.8929435372,952.9503842847,"[('C', 13), ('N', 15)]",+-+-+++----+
1311,1899.87801910533,1900.88584413753,950.946834584864,"[('C', 13), ('N', 15)]",+-+-+++-----
1312,1925.94628499536,1926.95411002755,963.980967529878,"[('C', 13), ('N', 15)]",+-+-++-+++++
1313,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+-+-++-++++-
1314,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",+-+-++-+++-+
1315,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+-+-++-+++--
1316,1913.91234691511,1914.92017194731,957.963998489753,"[('C', 13), ('N', 15)]",+-+-++-++-++
1317,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+-+-++-++-+-
1318,1904.88847334007,1905.89629837227,953.452061702236,"[('C', 13), ('N', 15)]",+-+-++-++--+
1319,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+-+-++-++---
1320,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+-+-++-+-+++
1321,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+-+-++-+-++-
1322,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+-+-++-+-+-+
1323,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+-+-++-+-+--
1324,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+-+-++-+--++
1325,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+-+-++-+--+-
1326,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+-+-++-+---+
1327,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+-+-++-+----
1328,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",+-+-++--++++
1329,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+-+-++--+++-
1330,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",+-+-++--++-+
1331,1906.90150295083,1907.90932798304,954.458576507617,"[('C', 13), ('N', 15)]",+-+-++--++--
1332,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",+-+-++--+-++
1333,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",+-+-++--+-+-
1334,1898.87466427026,1899.88248930246,950.445157167328,"[('C', 13), ('N', 15)]",+-+-++--+--+
1335,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",+-+-++--+---
1336,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+-+-++---+++
1337,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+-+-++---++-
1338,1906.90150295083,1907.90932798304,954.458576507617,"[('C', 13), ('N', 15)]",+-+-++---+-+
1339,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+-+-++---+--
1340,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",+-+-++----++
1341,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",+-+-++----+-
1342,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",+-+-++-----+
1343,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",+-+-++------
1344,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+-+-+-++++++
1345,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",+-+-+-+++++-
1346,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+-+-+-++++-+
1347,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+-+-+-++++--
1348,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",+-+-+-+++-++
1349,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",+-+-+-+++-+-
1350,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",+-+-+-+++--+
1351,1905.89182817515,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",+-+-+-+++---
1352,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",+-+-+-++-+++
1353,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",+-+-+-++-++-
1354,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+-+-+-++-+-+
1355,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",+-+-+-++-+--
1356,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",+-+-+-++--++
1357,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",+-+-+-++--+-
1358,1905.89182817515,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",+-+-+-++---+
1359,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",+-+-+-++----
1360,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",+-+-+-+-++++
1361,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",+-+-+-+-+++-
1362,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+-+-+-+-++-+
1363,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+-+-+-+-++--
1364,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",+-+-+-+-+-++
1365,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",+-+-+-+-+-+-
1366,1903.885118505,1904.8929435372,952.9503842847,"[('C', 13), ('N', 15)]",+-+-+-+-+--+
1367,1899.87801910533,1900.88584413753,950.946834584864,"[('C', 13), ('N', 15)]",+-+-+-+-+---
1368,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",+-+-+-+--+++
1369,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",+-+-+-+--++-
1370,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+-+-+-+--+-+
1371,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+-+-+-+--+--
1372,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",+-+-+-+---++
1373,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",+-+-+-+---+-
1374,1899.87801910533,1900.88584413753,950.946834584864,"[('C', 13), ('N', 15)]",+-+-+-+----+
1375,1895.87091970566,1896.87874473786,948.943284885029,"[('C', 13), ('N', 15)]",+-+-+-+-----
1376,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+-+-+--+++++
1377,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+-+-+--++++-
1378,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+-+-+--+++-+
1379,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+-+-+--+++--
1380,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+-+-+--++-++
1381,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+-+-+--++-+-
1382,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+-+-+--++--+
1383,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+-+-+--++---
1384,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+-+-+--+-+++
1385,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+-+-+--+-++-
1386,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+-+-+--+-+-+
1387,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+-+-+--+-+--
1388,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+-+-+--+--++
1389,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+-+-+--+--+-
1390,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+-+-+--+---+
1391,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+-+-+--+----
1392,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+-+-+---++++
1393,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+-+-+---+++-
1394,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+-+-+---++-+
1395,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+-+-+---++--
1396,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",+-+-+---+-++
1397,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",+-+-+---+-+-
1398,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",+-+-+---+--+
1399,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",+-+-+---+---
1400,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+-+-+----+++
1401,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",+-+-+----++-
1402,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+-+-+----+-+
1403,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+-+-+----+--
1404,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",+-+-+-----++
1405,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",+-+-+-----+-
1406,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",+-+-+------+
1407,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",+-+-+-------
1408,1925.94628499536,1926.95411002755,963.980967529877,"[('C', 13), ('N', 15)]",+-+--+++++++
1409,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+-+--++++++-
1410,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",+-+--+++++-+
1411,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+-+--+++++--
1412,1913.9123469151,1914.9201719473,957.963998489753,"[('C', 13), ('N', 15)]",+-+--++++-++
1413,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+-+--++++-+-
1414,1904.88847334007,1905.89629837227,953.452061702236,"[('C', 13), ('N', 15)]",+-+--++++--+
1415,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+-+--++++---
1416,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+-+--+++-+++
1417,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+-+--+++-++-
1418,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+-+--+++-+-+
1419,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+-+--+++-+--
1420,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+-+--+++--++
1421,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+-+--+++--+-
1422,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+-+--+++---+
1423,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+-+--+++----
1424,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",+-+--++-++++
1425,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+-+--++-+++-
1426,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",+-+--++-++-+
1427,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+-+--++-++--
1428,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",+-+--++-+-++
1429,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",+-+--++-+-+-
1430,1898.87466427026,1899.88248930246,950.445157167328,"[('C', 13), ('N', 15)]",+-+--++-+--+
1431,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",+-+--++-+---
1432,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+-+--++--+++
1433,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+-+--++--++-
1434,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+-+--++--+-+
1435,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+-+--++--+--
1436,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",+-+--++---++
1437,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",+-+--++---+-
1438,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",+-+--++----+
1439,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",+-+--++-----
1440,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",+-+--+-+++++
1441,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",+-+--+-++++-
1442,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+-+--+-+++-+
1443,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+-+--+-+++--
1444,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",+-+--+-++-++
1445,1900.88769388102,1901.89551891322,951.451671972709,"[('C', 13), ('N', 15)]",+-+--+-++-+-
1446,1895.87091970566,1896.87874473786,948.943284885029,"[('C', 13), ('N', 15)]",+-+--+-++--+
1447,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",+-+--+-++---
1448,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",+-+--+-+-+++
1449,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+-+--+-+-++-
1450,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+-+--+-+-+-+
1451,1899.89065898657,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+-+--+-+-+--
1452,1900.88769388102,1901.89551891322,951.451671972709,"[('C', 13), ('N', 15)]",+-+--+-+--++
1453,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",+-+--+-+--+-
1454,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",+-+--+-+---+
1455,1887.85672090632,1888.86454593852,944.936185485358,"[('C', 13), ('N', 15)]",+-+--+-+----
1456,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",+-+--+--++++
1457,1906.90782289145,1907.91564792365,954.461736477926,"[('C', 13), ('N', 15)]",+-+--+--+++-
1458,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+-+--+--++-+
1459,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",+-+--+--++--
1460,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",+-+--+--+-++
1461,1894.8738848112,1895.8817098434,948.444767437801,"[('C', 13), ('N', 15)]",+-+--+--+-+-
1462,1889.85711063584,1890.86493566804,945.936380350121,"[('C', 13), ('N', 15)]",+-+--+--+--+
1463,1885.85001123617,1886.85783626837,943.932830650285,"[('C', 13), ('N', 15)]",+-+--+--+---
1464,1906.90782289145,1907.91564792365,954.461736477926,"[('C', 13), ('N', 15)]",+-+--+---+++
1465,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",+-+--+---++-
1466,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",+-+--+---+-+
1467,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",+-+--+---+--
1468,1894.8738848112,1895.8817098434,948.444767437801,"[('C', 13), ('N', 15)]",+-+--+----++
1469,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",+-+--+----+-
1470,1885.85001123617,1886.85783626837,943.932830650285,"[('C', 13), ('N', 15)]",+-+--+-----+
1471,1881.8429118365,1882.8507368687,941.92928095045,"[('C', 13), ('N', 15)]",+-+--+------
1472,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+-+---++++++
1473,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+-+---+++++-
1474,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+-+---++++-+
1475,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+-+---++++--
1476,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+-+---+++-++
1477,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+-+---+++-+-
1478,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+-+---+++--+
1479,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+-+---+++---
1480,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+-+---++-+++
1481,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+-+---++-++-
1482,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+-+---++-+-+
1483,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+-+---++-+--
1484,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+-+---++--++
1485,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+-+---++--+-
1486,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+-+---++---+
1487,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+-+---++----
1488,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+-+---+-++++
1489,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+-+---+-+++-
1490,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+-+---+-++-+
1491,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+-+---+-++--
1492,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",+-+---+-+-++
1493,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",+-+---+-+-+-
1494,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",+-+---+-+--+
1495,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",+-+---+-+---
1496,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+-+---+--+++
1497,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",+-+---+--++-
1498,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+-+---+--+-+
1499,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+-+---+--+--
1500,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",+-+---+---++
1501,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",+-+---+---+-
1502,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",+-+---+----+
1503,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",+-+---+-----
1504,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",+-+----+++++
1505,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+-+----++++-
1506,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+-+----+++-+
1507,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+-+----+++--
1508,1900.88769388102,1901.89551891322,951.451671972709,"[('C', 13), ('N', 15)]",+-+----++-++
1509,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",+-+----++-+-
1510,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",+-+----++--+
1511,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",+-+----++---
1512,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+-+----+-+++
1513,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",+-+----+-++-
1514,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+-+----+-+-+
1515,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",+-+----+-+--
1516,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",+-+----+--++
1517,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",+-+----+--+-
1518,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",+-+----+---+
1519,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",+-+----+----
1520,1906.90782289145,1907.91564792365,954.461736477926,"[('C', 13), ('N', 15)]",+-+-----++++
1521,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",+-+-----+++-
1522,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",+-+-----++-+
1523,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",+-+-----++--
1524,1894.8738848112,1895.8817098434,948.444767437801,"[('C', 13), ('N', 15)]",+-+-----+-++
1525,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",+-+-----+-+-
1526,1885.85001123617,1886.85783626837,943.932830650285,"[('C', 13), ('N', 15)]",+-+-----+--+
1527,1881.8429118365,1882.8507368687,941.929280950449,"[('C', 13), ('N', 15)]",+-+-----+---
1528,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",+-+------+++
1529,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",+-+------++-
1530,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",+-+------+-+
1531,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",+-+------+--
1532,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",+-+-------++
1533,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",+-+-------+-
1534,1881.8429118365,1882.8507368687,941.929280950449,"[('C', 13), ('N', 15)]",+-+--------+
1535,1877.83581243683,1878.84363746903,939.925731250614,"[('C', 13), ('N', 15)]",+-+---------
1536,1936.97054829991,1937.97837333211,969.493099182157,"[('C', 13), ('N', 15)]",+--+++++++++
1537,1932.96344890024,1933.97127393244,967.489549482321,"[('C', 13), ('N', 15)]",+--++++++++-
1538,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",+--+++++++-+
1539,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",+--+++++++--
1540,1924.93661021966,1925.94443525186,963.476130142032,"[('C', 13), ('N', 15)]",+--++++++-++
1541,1920.92951081999,1921.93733585219,961.472580442197,"[('C', 13), ('N', 15)]",+--++++++-+-
1542,1915.91273664463,1916.92056167683,958.964193354516,"[('C', 13), ('N', 15)]",+--++++++--+
1543,1911.90563724496,1912.91346227716,956.96064365468,"[('C', 13), ('N', 15)]",+--++++++---
1544,1932.96344890024,1933.97127393244,967.489549482321,"[('C', 13), ('N', 15)]",+--+++++-+++
1545,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",+--+++++-++-
1546,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",+--+++++-+-+
1547,1919.93247592554,1920.94030095774,960.97406299497,"[('C', 13), ('N', 15)]",+--+++++-+--
1548,1920.92951081999,1921.93733585219,961.472580442197,"[('C', 13), ('N', 15)]",+--+++++--++
1549,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",+--+++++--+-
1550,1911.90563724496,1912.91346227716,956.96064365468,"[('C', 13), ('N', 15)]",+--+++++---+
1551,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",+--+++++----
1552,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+--++++-++++
1553,1926.94963983043,1927.95746486263,964.482644947413,"[('C', 13), ('N', 15)]",+--++++-+++-
1554,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+--++++-++-+
1555,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+--++++-++--
1556,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",+--++++-+-++
1557,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",+--++++-+-+-
1558,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",+--++++-+--+
1559,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",+--++++-+---
1560,1926.94963983043,1927.95746486263,964.482644947413,"[('C', 13), ('N', 15)]",+--++++--+++
1561,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",+--++++--++-
1562,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+--++++--+-+
1563,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",+--++++--+--
1564,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",+--++++---++
1565,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",+--++++---+-
1566,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",+--++++----+
1567,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",+--++++-----
1568,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",+--+++-+++++
1569,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+--+++-++++-
1570,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",+--+++-+++-+
1571,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+--+++-+++--
1572,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+--+++-++-++
1573,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+--+++-++-+-
1574,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",+--+++-++--+
1575,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",+--+++-++---
1576,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+--+++-+-+++
1577,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",+--+++-+-++-
1578,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+--+++-+-+-+
1579,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",+--+++-+-+--
1580,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+--+++-+--++
1581,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+--+++-+--+-
1582,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",+--+++-+---+
1583,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",+--+++-+----
1584,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+--+++--++++
1585,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+--+++--+++-
1586,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",+--+++--++-+
1587,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+--+++--++--
1588,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+--+++--+-++
1589,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+--+++--+-+-
1590,1900.8813739404,1901.8891989726,951.4485120024,"[('C', 13), ('N', 15)]",+--+++--+--+
1591,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+--+++--+---
1592,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+--+++---+++
1593,1913.92498679634,1914.93281182854,957.97031843037,"[('C', 13), ('N', 15)]",+--+++---++-
1594,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+--+++---+-+
1595,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+--+++---+--
1596,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+--+++----++
1597,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+--+++----+-
1598,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+--+++-----+
1599,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+--+++------
1600,1932.96344890024,1933.97127393244,967.489549482321,"[('C', 13), ('N', 15)]",+--++-++++++
1601,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",+--++-+++++-
1602,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",+--++-++++-+
1603,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",+--++-++++--
1604,1920.92951081999,1921.93733585219,961.472580442197,"[('C', 13), ('N', 15)]",+--++-+++-++
1605,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",+--++-+++-+-
1606,1911.90563724496,1912.91346227716,956.96064365468,"[('C', 13), ('N', 15)]",+--++-+++--+
1607,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",+--++-+++---
1608,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",+--++-++-+++
1609,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",+--++-++-++-
1610,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",+--++-++-+-+
1611,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+--++-++-+--
1612,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",+--++-++--++
1613,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",+--++-++--+-
1614,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",+--++-++---+
1615,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",+--++-++----
1616,1926.94963983043,1927.95746486263,964.482644947413,"[('C', 13), ('N', 15)]",+--++-+-++++
1617,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",+--++-+-+++-
1618,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+--++-+-++-+
1619,1913.91866685572,1914.92649188792,957.967158460061,"[('C', 13), ('N', 15)]",+--++-+-++--
1620,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",+--++-+-+-++
1621,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",+--++-+-+-+-
1622,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",+--++-+-+--+
1623,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",+--++-+-+---
1624,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",+--++-+--+++
1625,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",+--++-+--++-
1626,1913.91866685572,1914.92649188792,957.967158460061,"[('C', 13), ('N', 15)]",+--++-+--+-+
1627,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",+--++-+--+--
1628,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",+--++-+---++
1629,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+--++-+---+-
1630,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",+--++-+----+
1631,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",+--++-+-----
1632,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+--++--+++++
1633,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",+--++--++++-
1634,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+--++--+++-+
1635,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",+--++--+++--
1636,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+--++--++-++
1637,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+--++--++-+-
1638,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",+--++--++--+
1639,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",+--++--++---
1640,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",+--++--+-+++
1641,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",+--++--+-++-
1642,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",+--++--+-+-+
1643,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",+--++--+-+--
1644,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+--++--+--++
1645,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+--++--+--+-
1646,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",+--++--+---+
1647,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",+--++--+----
1648,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+--++---++++
1649,1913.92498679634,1914.93281182854,957.97031843037,"[('C', 13), ('N', 15)]",+--++---+++-
1650,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+--++---++-+
1651,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+--++---++--
1652,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+--++---+-++
1653,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+--++---+-+-
1654,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+--++---+--+
1655,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+--++---+---
1656,1913.92498679634,1914.93281182854,957.97031843037,"[('C', 13), ('N', 15)]",+--++----+++
1657,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",+--++----++-
1658,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+--++----+-+
1659,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",+--++----+--
1660,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+--++-----++
1661,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",+--++-----+-
1662,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+--++------+
1663,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",+--++-------
1664,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",+--+-+++++++
1665,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+--+-++++++-
1666,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",+--+-+++++-+
1667,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+--+-+++++--
1668,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+--+-++++-++
1669,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+--+-++++-+-
1670,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",+--+-++++--+
1671,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",+--+-++++---
1672,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+--+-+++-+++
1673,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",+--+-+++-++-
1674,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+--+-+++-+-+
1675,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",+--+-+++-+--
1676,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+--+-+++--++
1677,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+--+-+++--+-
1678,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",+--+-+++---+
1679,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",+--+-+++----
1680,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+--+-++-++++
1681,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+--+-++-+++-
1682,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",+--+-++-++-+
1683,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+--+-++-++--
1684,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+--+-++-+-++
1685,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+--+-++-+-+-
1686,1900.8813739404,1901.8891989726,951.4485120024,"[('C', 13), ('N', 15)]",+--+-++-+--+
1687,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+--+-++-+---
1688,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+--+-++--+++
1689,1913.92498679634,1914.93281182854,957.97031843037,"[('C', 13), ('N', 15)]",+--+-++--++-
1690,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+--+-++--+-+
1691,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+--+-++--+--
1692,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+--+-++---++
1693,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+--+-++---+-
1694,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+--+-++----+
1695,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+--+-++-----
1696,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",+--+-+-+++++
1697,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",+--+-+-++++-
1698,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",+--+-+-+++-+
1699,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",+--+-+-+++--
1700,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+--+-+-++-++
1701,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+--+-+-++-+-
1702,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",+--+-+-++--+
1703,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",+--+-+-++---
1704,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",+--+-+-+-+++
1705,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",+--+-+-+-++-
1706,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",+--+-+-+-+-+
1707,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",+--+-+-+-+--
1708,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+--+-+-+--++
1709,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+--+-+-+--+-
1710,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",+--+-+-+---+
1711,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",+--+-+-+----
1712,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",+--+-+--++++
1713,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+--+-+--+++-
1714,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+--+-+--++-+
1715,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+--+-+--++--
1716,1900.88769388102,1901.89551891322,951.451671972709,"[('C', 13), ('N', 15)]",+--+-+--+-++
1717,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",+--+-+--+-+-
1718,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",+--+-+--+--+
1719,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",+--+-+--+---
1720,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+--+-+---+++
1721,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",+--+-+---++-
1722,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+--+-+---+-+
1723,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",+--+-+---+--
1724,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",+--+-+----++
1725,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",+--+-+----+-
1726,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",+--+-+-----+
1727,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",+--+-+------
1728,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",+--+--++++++
1729,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",+--+--+++++-
1730,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",+--+--++++-+
1731,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",+--+--++++--
1732,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+--+--+++-++
1733,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+--+--+++-+-
1734,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",+--+--+++--+
1735,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",+--+--+++---
1736,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",+--+--++-+++
1737,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",+--+--++-++-
1738,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",+--+--++-+-+
1739,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",+--+--++-+--
1740,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+--+--++--++
1741,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+--+--++--+-
1742,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",+--+--++---+
1743,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",+--+--++----
1744,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+--+--+-++++
1745,1913.92498679634,1914.93281182854,957.97031843037,"[('C', 13), ('N', 15)]",+--+--+-+++-
1746,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+--+--+-++-+
1747,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+--+--+-++--
1748,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+--+--+-+-++
1749,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+--+--+-+-+-
1750,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+--+--+-+--+
1751,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+--+--+-+---
1752,1913.92498679634,1914.93281182854,957.97031843037,"[('C', 13), ('N', 15)]",+--+--+--+++
1753,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",+--+--+--++-
1754,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+--+--+--+-+
1755,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",+--+--+--+--
1756,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+--+--+---++
1757,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",+--+--+---+-
1758,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+--+--+----+
1759,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",+--+--+-----
1760,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",+--+---+++++
1761,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",+--+---++++-
1762,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",+--+---+++-+
1763,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",+--+---+++--
1764,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+--+---++-++
1765,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+--+---++-+-
1766,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",+--+---++--+
1767,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",+--+---++---
1768,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",+--+---+-+++
1769,1906.91414283207,1907.92196786427,954.464896448235,"[('C', 13), ('N', 15)]",+--+---+-++-
1770,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",+--+---+-+-+
1771,1897.89026925704,1898.89809428924,949.952959660719,"[('C', 13), ('N', 15)]",+--+---+-+--
1772,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+--+---+--++
1773,1894.88020475182,1895.88802978402,948.447927408111,"[('C', 13), ('N', 15)]",+--+---+--+-
1774,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",+--+---+---+
1775,1885.85633117679,1886.86415620899,943.935990620594,"[('C', 13), ('N', 15)]",+--+---+----
1776,1908.9145325616,1909.9223575938,955.465091312998,"[('C', 13), ('N', 15)]",+--+----++++
1777,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",+--+----+++-
1778,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+--+----++-+
1779,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",+--+----++--
1780,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",+--+----+-++
1781,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",+--+----+-+-
1782,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",+--+----+--+
1783,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",+--+----+---
1784,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",+--+-----+++
1785,1900.90033376225,1901.90815879445,951.457991913327,"[('C', 13), ('N', 15)]",+--+-----++-
1786,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",+--+-----+-+
1787,1891.87646018722,1892.88428521942,946.946055125811,"[('C', 13), ('N', 15)]",+--+-----+--
1788,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",+--+------++
1789,1888.866395682,1889.8742207142,945.441022873202,"[('C', 13), ('N', 15)]",+--+------+-
1790,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",+--+-------+
1791,1879.84252210697,1880.85034713917,940.929086085686,"[('C', 13), ('N', 15)]",+--+--------
1792,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",+---++++++++
1793,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",+---+++++++-
1794,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",+---++++++-+
1795,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+---++++++--
1796,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",+---+++++-++
1797,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",+---+++++-+-
1798,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",+---+++++--+
1799,1905.89182817515,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",+---+++++---
1800,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",+---++++-+++
1801,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",+---++++-++-
1802,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+---++++-+-+
1803,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",+---++++-+--
1804,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",+---++++--++
1805,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",+---++++--+-
1806,1905.89182817515,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",+---++++---+
1807,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",+---++++----
1808,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",+---+++-++++
1809,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",+---+++-+++-
1810,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",+---+++-++-+
1811,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+---+++-++--
1812,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",+---+++-+-++
1813,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",+---+++-+-+-
1814,1903.885118505,1904.8929435372,952.9503842847,"[('C', 13), ('N', 15)]",+---+++-+--+
1815,1899.87801910533,1900.88584413753,950.946834584864,"[('C', 13), ('N', 15)]",+---+++-+---
1816,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",+---+++--+++
1817,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",+---+++--++-
1818,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+---+++--+-+
1819,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+---+++--+--
1820,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",+---+++---++
1821,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",+---+++---+-
1822,1899.87801910533,1900.88584413753,950.946834584864,"[('C', 13), ('N', 15)]",+---+++----+
1823,1895.87091970566,1896.87874473786,948.943284885029,"[('C', 13), ('N', 15)]",+---+++-----
1824,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+---++-+++++
1825,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+---++-++++-
1826,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+---++-+++-+
1827,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+---++-+++--
1828,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+---++-++-++
1829,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+---++-++-+-
1830,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+---++-++--+
1831,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+---++-++---
1832,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+---++-+-+++
1833,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+---++-+-++-
1834,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+---++-+-+-+
1835,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+---++-+-+--
1836,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+---++-+--++
1837,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+---++-+--+-
1838,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+---++-+---+
1839,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+---++-+----
1840,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+---++--++++
1841,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+---++--+++-
1842,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+---++--++-+
1843,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+---++--++--
1844,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",+---++--+-++
1845,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",+---++--+-+-
1846,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",+---++--+--+
1847,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",+---++--+---
1848,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+---++---+++
1849,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",+---++---++-
1850,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+---++---+-+
1851,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+---++---+--
1852,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",+---++----++
1853,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",+---++----+-
1854,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",+---++-----+
1855,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",+---++------
1856,1926.94963983043,1927.95746486263,964.482644947413,"[('C', 13), ('N', 15)]",+---+-++++++
1857,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",+---+-+++++-
1858,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",+---+-++++-+
1859,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",+---+-++++--
1860,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",+---+-+++-++
1861,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",+---+-+++-+-
1862,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",+---+-+++--+
1863,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",+---+-+++---
1864,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",+---+-++-+++
1865,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",+---+-++-++-
1866,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",+---+-++-+-+
1867,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",+---+-++-+--
1868,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",+---+-++--++
1869,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+---+-++--+-
1870,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",+---+-++---+
1871,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",+---+-++----
1872,1920.93583076061,1921.94365579281,961.475740412505,"[('C', 13), ('N', 15)]",+---+-+-++++
1873,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",+---+-+-+++-
1874,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",+---+-+-++-+
1875,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+---+-+-++--
1876,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",+---+-+-+-++
1877,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",+---+-+-+-+-
1878,1899.87801910533,1900.88584413753,950.946834584864,"[('C', 13), ('N', 15)]",+---+-+-+--+
1879,1895.87091970566,1896.87874473786,948.943284885029,"[('C', 13), ('N', 15)]",+---+-+-+---
1880,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",+---+-+--+++
1881,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",+---+-+--++-
1882,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",+---+-+--+-+
1883,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+---+-+--+--
1884,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",+---+-+---++
1885,1900.88769388102,1901.89551891322,951.451671972709,"[('C', 13), ('N', 15)]",+---+-+---+-
1886,1895.87091970566,1896.87874473786,948.943284885029,"[('C', 13), ('N', 15)]",+---+-+----+
1887,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",+---+-+-----
1888,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+---+--+++++
1889,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+---+--++++-
1890,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+---+--+++-+
1891,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+---+--+++--
1892,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+---+--++-++
1893,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+---+--++-+-
1894,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+---+--++--+
1895,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+---+--++---
1896,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+---+--+-+++
1897,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",+---+--+-++-
1898,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+---+--+-+-+
1899,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",+---+--+-+--
1900,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+---+--+--++
1901,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",+---+--+--+-
1902,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+---+--+---+
1903,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",+---+--+----
1904,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+---+---++++
1905,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",+---+---+++-
1906,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+---+---++-+
1907,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+---+---++--
1908,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",+---+---+-++
1909,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",+---+---+-+-
1910,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",+---+---+--+
1911,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",+---+---+---
1912,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",+---+----+++
1913,1903.90407832685,1904.91190335905,952.959864195627,"[('C', 13), ('N', 15)]",+---+----++-
1914,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+---+----+-+
1915,1894.88020475182,1895.88802978402,948.447927408111,"[('C', 13), ('N', 15)]",+---+----+--
1916,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",+---+-----++
1917,1891.8701402466,1892.8779652788,946.942895155502,"[('C', 13), ('N', 15)]",+---+-----+-
1918,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",+---+------+
1919,1882.84626667157,1883.85409170377,942.430958367986,"[('C', 13), ('N', 15)]",+---+-------
1920,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",+----+++++++
1921,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+----++++++-
1922,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",+----+++++-+
1923,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+----+++++--
1924,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",+----++++-++
1925,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+----++++-+-
1926,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",+----++++--+
1927,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+----++++---
1928,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+----+++-+++
1929,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+----+++-++-
1930,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+----+++-+-+
1931,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+----+++-+--
1932,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+----+++--++
1933,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+----+++--+-
1934,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+----+++---+
1935,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+----+++----
1936,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",+----++-++++
1937,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+----++-+++-
1938,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",+----++-++-+
1939,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+----++-++--
1940,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",+----++-+-++
1941,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",+----++-+-+-
1942,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",+----++-+--+
1943,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",+----++-+---
1944,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+----++--+++
1945,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",+----++--++-
1946,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+----++--+-+
1947,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+----++--+--
1948,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",+----++---++
1949,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",+----++---+-
1950,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",+----++----+
1951,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",+----++-----
1952,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",+----+-+++++
1953,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+----+-++++-
1954,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",+----+-+++-+
1955,1899.89065898657,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+----+-+++--
1956,1900.88769388102,1901.89551891322,951.451671972709,"[('C', 13), ('N', 15)]",+----+-++-++
1957,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",+----+-++-+-
1958,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",+----+-++--+
1959,1887.85672090632,1888.86454593852,944.936185485358,"[('C', 13), ('N', 15)]",+----+-++---
1960,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+----+-+-+++
1961,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",+----+-+-++-
1962,1899.89065898657,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+----+-+-+-+
1963,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",+----+-+-+--
1964,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",+----+-+--++
1965,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",+----+-+--+-
1966,1887.85672090632,1888.86454593852,944.936185485358,"[('C', 13), ('N', 15)]",+----+-+---+
1967,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",+----+-+----
1968,1906.90782289145,1907.91564792365,954.461736477926,"[('C', 13), ('N', 15)]",+----+--++++
1969,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",+----+--+++-
1970,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",+----+--++-+
1971,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",+----+--++--
1972,1894.8738848112,1895.8817098434,948.444767437801,"[('C', 13), ('N', 15)]",+----+--+-++
1973,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",+----+--+-+-
1974,1885.85001123617,1886.85783626837,943.932830650285,"[('C', 13), ('N', 15)]",+----+--+--+
1975,1881.8429118365,1882.8507368687,941.92928095045,"[('C', 13), ('N', 15)]",+----+--+---
1976,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",+----+---+++
1977,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",+----+---++-
1978,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",+----+---+-+
1979,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",+----+---+--
1980,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",+----+----++
1981,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",+----+----+-
1982,1881.8429118365,1882.8507368687,941.92928095045,"[('C', 13), ('N', 15)]",+----+-----+
1983,1877.83581243683,1878.84363746903,939.925731250614,"[('C', 13), ('N', 15)]",+----+------
1984,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",+-----++++++
1985,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+-----+++++-
1986,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",+-----++++-+
1987,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+-----++++--
1988,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",+-----+++-++
1989,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+-----+++-+-
1990,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",+-----+++--+
1991,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+-----+++---
1992,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",+-----++-+++
1993,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",+-----++-++-
1994,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",+-----++-+-+
1995,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",+-----++-+--
1996,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",+-----++--++
1997,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",+-----++--+-
1998,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",+-----++---+
1999,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",+-----++----
2000,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",+-----+-++++
2001,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",+-----+-+++-
2002,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",+-----+-++-+
2003,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+-----+-++--
2004,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",+-----+-+-++
2005,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",+-----+-+-+-
2006,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",+-----+-+--+
2007,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",+-----+-+---
2008,1907.91117772653,1908.91900275872,954.963413895463,"[('C', 13), ('N', 15)]",+-----+--+++
2009,1903.90407832685,1904.91190335905,952.959864195627,"[('C', 13), ('N', 15)]",+-----+--++-
2010,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",+-----+--+-+
2011,1894.88020475182,1895.88802978402,948.447927408111,"[('C', 13), ('N', 15)]",+-----+--+--
2012,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",+-----+---++
2013,1891.8701402466,1892.8779652788,946.942895155502,"[('C', 13), ('N', 15)]",+-----+---+-
2014,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",+-----+----+
2015,1882.84626667157,1883.85409170377,942.430958367986,"[('C', 13), ('N', 15)]",+-----+-----
2016,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",+------+++++
2017,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",+------++++-
2018,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",+------+++-+
2019,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",+------+++--
2020,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",+------++-++
2021,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",+------++-+-
2022,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",+------++--+
2023,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",+------++---
2024,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",+------+-+++
2025,1900.90033376225,1901.90815879445,951.457991913327,"[('C', 13), ('N', 15)]",+------+-++-
2026,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",+------+-+-+
2027,1891.87646018722,1892.88428521942,946.946055125811,"[('C', 13), ('N', 15)]",+------+-+--
2028,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",+------+--++
2029,1888.86639568201,1889.87422071421,945.441022873202,"[('C', 13), ('N', 15)]",+------+--+-
2030,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",+------+---+
2031,1879.84252210697,1880.85034713917,940.929086085686,"[('C', 13), ('N', 15)]",+------+----
2032,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",+-------++++
2033,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",+-------+++-
2034,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",+-------++-+
2035,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",+-------++--
2036,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",+-------+-++
2037,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",+-------+-+-
2038,1881.8429118365,1882.8507368687,941.929280950449,"[('C', 13), ('N', 15)]",+-------+--+
2039,1877.83581243683,1878.84363746903,939.925731250614,"[('C', 13), ('N', 15)]",+-------+---
2040,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",+--------+++
2041,1894.88652469244,1895.89434972464,948.451087378419,"[('C', 13), ('N', 15)]",+--------++-
2042,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",+--------+-+
2043,1885.86265111741,1886.87047614961,943.939150590903,"[('C', 13), ('N', 15)]",+--------+--
2044,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",+---------++
2045,1882.85258661219,1883.86041164439,942.434118338294,"[('C', 13), ('N', 15)]",+---------+-
2046,1877.83581243683,1878.84363746903,939.925731250614,"[('C', 13), ('N', 15)]",+----------+
2047,1873.82871303716,1874.83653806936,937.922181550778,"[('C', 13), ('N', 15)]",+-----------
2048,1943.9877122048,1944.995537237,973.001681134601,"[('C', 13), ('N', 15)]",-+++++++++++
2049,1939.98061280513,1940.98843783733,970.998131434766,"[('C', 13), ('N', 15)]",-++++++++++-
2050,1934.96383862977,1935.97166366197,968.489744347085,"[('C', 13), ('N', 15)]",-+++++++++-+
2051,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",-+++++++++--
2052,1931.95377412455,1932.96159915675,966.984712094476,"[('C', 13), ('N', 15)]",-++++++++-++
2053,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",-++++++++-+-
2054,1922.92990054952,1923.93772558172,962.47277530696,"[('C', 13), ('N', 15)]",-++++++++--+
2055,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",-++++++++---
2056,1939.98061280513,1940.98843783733,970.998131434766,"[('C', 13), ('N', 15)]",-+++++++-+++
2057,1935.97351340546,1936.98133843766,968.99458173493,"[('C', 13), ('N', 15)]",-+++++++-++-
2058,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",-+++++++-+-+
2059,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",-+++++++-+--
2060,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",-+++++++--++
2061,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",-+++++++--+-
2062,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",-+++++++---+
2063,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",-+++++++----
2064,1937.97390313499,1938.98172816719,969.994776599693,"[('C', 13), ('N', 15)]",-++++++-++++
2065,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",-++++++-+++-
2066,1928.95002955995,1929.95785459215,965.482839812177,"[('C', 13), ('N', 15)]",-++++++-++-+
2067,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",-++++++-++--
2068,1925.93996505474,1926.94779008694,963.977807559568,"[('C', 13), ('N', 15)]",-++++++-+-++
2069,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",-++++++-+-+-
2070,1916.9160914797,1917.9239165119,959.465870772052,"[('C', 13), ('N', 15)]",-++++++-+--+
2071,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",-++++++-+---
2072,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",-++++++--+++
2073,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",-++++++--++-
2074,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",-++++++--+-+
2075,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",-++++++--+--
2076,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",-++++++---++
2077,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",-++++++---+-
2078,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",-++++++----+
2079,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",-++++++-----
2080,1934.97015857039,1935.97798360259,968.492904317394,"[('C', 13), ('N', 15)]",-+++++-+++++
2081,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",-+++++-++++-
2082,1925.94628499536,1926.95411002755,963.980967529878,"[('C', 13), ('N', 15)]",-+++++-+++-+
2083,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",-+++++-+++--
2084,1922.93622049014,1923.94404552234,962.475935277269,"[('C', 13), ('N', 15)]",-+++++-++-++
2085,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",-+++++-++-+-
2086,1913.91234691511,1914.92017194731,957.963998489753,"[('C', 13), ('N', 15)]",-+++++-++--+
2087,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",-+++++-++---
2088,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",-+++++-+-+++
2089,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",-+++++-+-++-
2090,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",-+++++-+-+-+
2091,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",-+++++-+-+--
2092,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",-+++++-+--++
2093,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-+++++-+--+-
2094,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",-+++++-+---+
2095,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",-+++++-+----
2096,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",-+++++--++++
2097,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-+++++--+++-
2098,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",-+++++--++-+
2099,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-+++++--++--
2100,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",-+++++--+-++
2101,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-+++++--+-+-
2102,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",-+++++--+--+
2103,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-+++++--+---
2104,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-+++++---+++
2105,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+++++---++-
2106,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-+++++---+-+
2107,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+++++---+--
2108,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-+++++----++
2109,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+++++----+-
2110,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-+++++-----+
2111,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+++++------
2112,1939.98061280513,1940.98843783733,970.998131434766,"[('C', 13), ('N', 15)]",-++++-++++++
2113,1935.97351340546,1936.98133843766,968.99458173493,"[('C', 13), ('N', 15)]",-++++-+++++-
2114,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",-++++-++++-+
2115,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",-++++-++++--
2116,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",-++++-+++-++
2117,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",-++++-+++-+-
2118,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",-++++-+++--+
2119,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",-++++-+++---
2120,1935.97351340546,1936.98133843766,968.99458173493,"[('C', 13), ('N', 15)]",-++++-++-+++
2121,1931.96641400579,1932.97423903799,966.991032035094,"[('C', 13), ('N', 15)]",-++++-++-++-
2122,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",-++++-++-+-+
2123,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",-++++-++-+--
2124,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",-++++-++--++
2125,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",-++++-++--+-
2126,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",-++++-++---+
2127,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",-++++-++----
2128,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",-++++-+-++++
2129,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",-++++-+-+++-
2130,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",-++++-+-++-+
2131,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",-++++-+-++--
2132,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",-++++-+-+-++
2133,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",-++++-+-+-+-
2134,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",-++++-+-+--+
2135,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",-++++-+-+---
2136,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",-++++-+--+++
2137,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",-++++-+--++-
2138,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",-++++-+--+-+
2139,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",-++++-+--+--
2140,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",-++++-+---++
2141,1913.91866685572,1914.92649188792,957.967158460061,"[('C', 13), ('N', 15)]",-++++-+---+-
2142,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",-++++-+----+
2143,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",-++++-+-----
2144,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",-++++--+++++
2145,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",-++++--++++-
2146,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",-++++--+++-+
2147,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",-++++--+++--
2148,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",-++++--++-++
2149,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-++++--++-+-
2150,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",-++++--++--+
2151,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",-++++--++---
2152,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",-++++--+-+++
2153,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",-++++--+-++-
2154,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",-++++--+-+-+
2155,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",-++++--+-+--
2156,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-++++--+--++
2157,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-++++--+--+-
2158,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",-++++--+---+
2159,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",-++++--+----
2160,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-++++---++++
2161,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-++++---+++-
2162,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-++++---++-+
2163,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-++++---++--
2164,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-++++---+-++
2165,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-++++---+-+-
2166,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-++++---+--+
2167,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-++++---+---
2168,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-++++----+++
2169,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-++++----++-
2170,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-++++----+-+
2171,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-++++----+--
2172,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-++++-----++
2173,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-++++-----+-
2174,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-++++------+
2175,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-++++-------
2176,1934.97015857039,1935.97798360259,968.492904317394,"[('C', 13), ('N', 15)]",-+++-+++++++
2177,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",-+++-++++++-
2178,1925.94628499536,1926.95411002755,963.980967529878,"[('C', 13), ('N', 15)]",-+++-+++++-+
2179,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",-+++-+++++--
2180,1922.93622049014,1923.94404552234,962.475935277269,"[('C', 13), ('N', 15)]",-+++-++++-++
2181,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",-+++-++++-+-
2182,1913.91234691511,1914.92017194731,957.963998489753,"[('C', 13), ('N', 15)]",-+++-++++--+
2183,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",-+++-++++---
2184,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",-+++-+++-+++
2185,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",-+++-+++-++-
2186,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",-+++-+++-+-+
2187,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",-+++-+++-+--
2188,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",-+++-+++--++
2189,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-+++-+++--+-
2190,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",-+++-+++---+
2191,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",-+++-+++----
2192,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",-+++-++-++++
2193,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-+++-++-+++-
2194,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",-+++-++-++-+
2195,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-+++-++-++--
2196,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",-+++-++-+-++
2197,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-+++-++-+-+-
2198,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",-+++-++-+--+
2199,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-+++-++-+---
2200,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-+++-++--+++
2201,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+++-++--++-
2202,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-+++-++--+-+
2203,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+++-++--+--
2204,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-+++-++---++
2205,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+++-++---+-
2206,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-+++-++----+
2207,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+++-++-----
2208,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",-+++-+-+++++
2209,1921.9455055363,1922.9533305685,961.980577800351,"[('C', 13), ('N', 15)]",-+++-+-++++-
2210,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",-+++-+-+++-+
2211,1912.92163196127,1913.92945699347,957.468641012835,"[('C', 13), ('N', 15)]",-+++-+-+++--
2212,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",-+++-+-++-++
2213,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-+++-+-++-+-
2214,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",-+++-+-++--+
2215,1900.88769388102,1901.89551891322,951.45167197271,"[('C', 13), ('N', 15)]",-+++-+-++---
2216,1921.9455055363,1922.9533305685,961.980577800351,"[('C', 13), ('N', 15)]",-+++-+-+-+++
2217,1917.93840613663,1918.94623116883,959.977028100515,"[('C', 13), ('N', 15)]",-+++-+-+-++-
2218,1912.92163196127,1913.92945699347,957.468641012835,"[('C', 13), ('N', 15)]",-+++-+-+-+-+
2219,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",-+++-+-+-+--
2220,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-+++-+-+--++
2221,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-+++-+-+--+-
2222,1900.88769388102,1901.89551891322,951.45167197271,"[('C', 13), ('N', 15)]",-+++-+-+---+
2223,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",-+++-+-+----
2224,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",-+++-+--++++
2225,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",-+++-+--+++-
2226,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-+++-+--++-+
2227,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",-+++-+--++--
2228,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",-+++-+--+-++
2229,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",-+++-+--+-+-
2230,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",-+++-+--+--+
2231,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",-+++-+--+---
2232,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",-+++-+---+++
2233,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",-+++-+---++-
2234,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",-+++-+---+-+
2235,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",-+++-+---+--
2236,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",-+++-+----++
2237,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-+++-+----+-
2238,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",-+++-+-----+
2239,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-+++-+------
2240,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",-+++--++++++
2241,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",-+++--+++++-
2242,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",-+++--++++-+
2243,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",-+++--++++--
2244,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",-+++--+++-++
2245,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-+++--+++-+-
2246,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",-+++--+++--+
2247,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",-+++--+++---
2248,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",-+++--++-+++
2249,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",-+++--++-++-
2250,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",-+++--++-+-+
2251,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",-+++--++-+--
2252,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-+++--++--++
2253,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-+++--++--+-
2254,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",-+++--++---+
2255,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",-+++--++----
2256,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-+++--+-++++
2257,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+++--+-+++-
2258,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-+++--+-++-+
2259,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+++--+-++--
2260,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-+++--+-+-++
2261,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+++--+-+-+-
2262,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-+++--+-+--+
2263,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+++--+-+---
2264,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+++--+--+++
2265,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-+++--+--++-
2266,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+++--+--+-+
2267,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-+++--+--+--
2268,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+++--+---++
2269,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-+++--+---+-
2270,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+++--+----+
2271,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-+++--+-----
2272,1921.9455055363,1922.9533305685,961.980577800351,"[('C', 13), ('N', 15)]",-+++---+++++
2273,1917.93840613663,1918.94623116883,959.977028100515,"[('C', 13), ('N', 15)]",-+++---++++-
2274,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",-+++---+++-+
2275,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",-+++---+++--
2276,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-+++---++-++
2277,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-+++---++-+-
2278,1900.88769388102,1901.89551891322,951.451671972709,"[('C', 13), ('N', 15)]",-+++---++--+
2279,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",-+++---++---
2280,1917.93840613663,1918.94623116883,959.977028100515,"[('C', 13), ('N', 15)]",-+++---+-+++
2281,1913.93130673696,1914.93913176916,957.97347840068,"[('C', 13), ('N', 15)]",-+++---+-++-
2282,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",-+++---+-+-+
2283,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",-+++---+-+--
2284,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-+++---+--++
2285,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",-+++---+--+-
2286,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",-+++---+---+
2287,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",-+++---+----
2288,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",-+++----++++
2289,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",-+++----+++-
2290,1906.90782289145,1907.91564792365,954.461736477926,"[('C', 13), ('N', 15)]",-+++----++-+
2291,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",-+++----++--
2292,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",-+++----+-++
2293,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-+++----+-+-
2294,1894.8738848112,1895.8817098434,948.444767437801,"[('C', 13), ('N', 15)]",-+++----+--+
2295,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-+++----+---
2296,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",-+++-----+++
2297,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",-+++-----++-
2298,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",-+++-----+-+
2299,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",-+++-----+--
2300,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-+++------++
2301,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",-+++------+-
2302,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-+++-------+
2303,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",-+++--------
2304,1937.97390313499,1938.98172816719,969.994776599693,"[('C', 13), ('N', 15)]",-++-++++++++
2305,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",-++-+++++++-
2306,1928.95002955995,1929.95785459215,965.482839812177,"[('C', 13), ('N', 15)]",-++-++++++-+
2307,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",-++-++++++--
2308,1925.93996505474,1926.94779008694,963.977807559568,"[('C', 13), ('N', 15)]",-++-+++++-++
2309,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",-++-+++++-+-
2310,1916.9160914797,1917.9239165119,959.465870772052,"[('C', 13), ('N', 15)]",-++-+++++--+
2311,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",-++-+++++---
2312,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",-++-++++-+++
2313,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",-++-++++-++-
2314,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",-++-++++-+-+
2315,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",-++-++++-+--
2316,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",-++-++++--++
2317,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",-++-++++--+-
2318,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",-++-++++---+
2319,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",-++-++++----
2320,1931.96009406517,1932.96791909737,966.987872064785,"[('C', 13), ('N', 15)]",-++-+++-++++
2321,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",-++-+++-+++-
2322,1922.93622049014,1923.94404552234,962.475935277269,"[('C', 13), ('N', 15)]",-++-+++-++-+
2323,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",-++-+++-++--
2324,1919.92615598492,1920.93398101712,960.97090302466,"[('C', 13), ('N', 15)]",-++-+++-+-++
2325,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",-++-+++-+-+-
2326,1910.90228240989,1911.91010744209,956.458966237144,"[('C', 13), ('N', 15)]",-++-+++-+--+
2327,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",-++-+++-+---
2328,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",-++-+++--+++
2329,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",-++-+++--++-
2330,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",-++-+++--+-+
2331,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-++-+++--+--
2332,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",-++-+++---++
2333,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",-++-+++---+-
2334,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",-++-+++----+
2335,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",-++-+++-----
2336,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",-++-++-+++++
2337,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-++-++-++++-
2338,1919.93247592554,1920.94030095774,960.97406299497,"[('C', 13), ('N', 15)]",-++-++-+++-+
2339,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-++-++-+++--
2340,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",-++-++-++-++
2341,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",-++-++-++-+-
2342,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",-++-++-++--+
2343,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-++-++-++---
2344,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-++-++-+-+++
2345,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-++-++-+-++-
2346,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-++-++-+-+-+
2347,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-++-++-+-+--
2348,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",-++-++-+--++
2349,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-++-++-+--+-
2350,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-++-++-+---+
2351,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-++-++-+----
2352,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",-++-++--++++
2353,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",-++-++--+++-
2354,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",-++-++--++-+
2355,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-++-++--++--
2356,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",-++-++--+-++
2357,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",-++-++--+-+-
2358,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",-++-++--+--+
2359,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",-++-++--+---
2360,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",-++-++---+++
2361,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",-++-++---++-
2362,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-++-++---+-+
2363,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-++-++---+--
2364,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",-++-++----++
2365,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-++-++----+-
2366,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",-++-++-----+
2367,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-++-++------
2368,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",-++-+-++++++
2369,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",-++-+-+++++-
2370,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",-++-+-++++-+
2371,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",-++-+-++++--
2372,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",-++-+-+++-++
2373,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",-++-+-+++-+-
2374,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",-++-+-+++--+
2375,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",-++-+-+++---
2376,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",-++-+-++-+++
2377,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",-++-+-++-++-
2378,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",-++-+-++-+-+
2379,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",-++-+-++-+--
2380,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",-++-+-++--++
2381,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",-++-+-++--+-
2382,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",-++-+-++---+
2383,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",-++-+-++----
2384,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",-++-+-+-++++
2385,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",-++-+-+-+++-
2386,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",-++-+-+-++-+
2387,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-++-+-+-++--
2388,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",-++-+-+-+-++
2389,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",-++-+-+-+-+-
2390,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",-++-+-+-+--+
2391,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",-++-+-+-+---
2392,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",-++-+-+--+++
2393,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",-++-+-+--++-
2394,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-++-+-+--+-+
2395,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-++-+-+--+--
2396,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",-++-+-+---++
2397,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",-++-+-+---+-
2398,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",-++-+-+----+
2399,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",-++-+-+-----
2400,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-++-+--+++++
2401,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-++-+--++++-
2402,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-++-+--+++-+
2403,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-++-+--+++--
2404,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-++-+--++-++
2405,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-++-+--++-+-
2406,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-++-+--++--+
2407,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-++-+--++---
2408,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-++-+--+-+++
2409,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-++-+--+-++-
2410,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-++-+--+-+-+
2411,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-++-+--+-+--
2412,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-++-+--+--++
2413,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-++-+--+--+-
2414,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-++-+--+---+
2415,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-++-+--+----
2416,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",-++-+---++++
2417,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",-++-+---+++-
2418,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-++-+---++-+
2419,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-++-+---++--
2420,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",-++-+---+-++
2421,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-++-+---+-+-
2422,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",-++-+---+--+
2423,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-++-+---+---
2424,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",-++-+----+++
2425,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",-++-+----++-
2426,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-++-+----+-+
2427,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",-++-+----+--
2428,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-++-+-----++
2429,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",-++-+-----+-
2430,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-++-+------+
2431,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",-++-+-------
2432,1928.95634950057,1929.96417453277,965.485999782486,"[('C', 13), ('N', 15)]",-++--+++++++
2433,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-++--++++++-
2434,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",-++--+++++-+
2435,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-++--+++++--
2436,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",-++--++++-++
2437,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-++--++++-+-
2438,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",-++--++++--+
2439,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-++--++++---
2440,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-++--+++-+++
2441,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-++--+++-++-
2442,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-++--+++-+-+
2443,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-++--+++-+--
2444,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-++--+++--++
2445,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-++--+++--+-
2446,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-++--+++---+
2447,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-++--+++----
2448,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",-++--++-++++
2449,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",-++--++-+++-
2450,1913.91866685572,1914.92649188792,957.967158460061,"[('C', 13), ('N', 15)]",-++--++-++-+
2451,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-++--++-++--
2452,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",-++--++-+-++
2453,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",-++--++-+-+-
2454,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",-++--++-+--+
2455,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",-++--++-+---
2456,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",-++--++--+++
2457,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",-++--++--++-
2458,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-++--++--+-+
2459,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-++--++--+--
2460,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",-++--++---++
2461,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-++--++---+-
2462,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",-++--++----+
2463,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-++--++-----
2464,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",-++--+-+++++
2465,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",-++--+-++++-
2466,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-++--+-+++-+
2467,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",-++--+-+++--
2468,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",-++--+-++-++
2469,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",-++--+-++-+-
2470,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",-++--+-++--+
2471,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",-++--+-++---
2472,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",-++--+-+-+++
2473,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",-++--+-+-++-
2474,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",-++--+-+-+-+
2475,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",-++--+-+-+--
2476,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",-++--+-+--++
2477,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-++--+-+--+-
2478,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",-++--+-+---+
2479,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-++--+-+----
2480,1913.92498679634,1914.93281182854,957.97031843037,"[('C', 13), ('N', 15)]",-++--+--++++
2481,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",-++--+--+++-
2482,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-++--+--++-+
2483,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",-++--+--++--
2484,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",-++--+--+-++
2485,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",-++--+--+-+-
2486,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",-++--+--+--+
2487,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",-++--+--+---
2488,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",-++--+---+++
2489,1905.910787997,1906.9186130292,953.963219030699,"[('C', 13), ('N', 15)]",-++--+---++-
2490,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",-++--+---+-+
2491,1896.88691442197,1897.89473945417,949.451282243183,"[('C', 13), ('N', 15)]",-++--+---+--
2492,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",-++--+----++
2493,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",-++--+----+-
2494,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",-++--+-----+
2495,1884.85297634172,1885.86080137392,943.434313203058,"[('C', 13), ('N', 15)]",-++--+------
2496,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-++---++++++
2497,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-++---+++++-
2498,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-++---++++-+
2499,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-++---++++--
2500,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-++---+++-++
2501,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-++---+++-+-
2502,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-++---+++--+
2503,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-++---+++---
2504,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-++---++-+++
2505,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-++---++-++-
2506,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-++---++-+-+
2507,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-++---++-+--
2508,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-++---++--++
2509,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-++---++--+-
2510,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-++---++---+
2511,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-++---++----
2512,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",-++---+-++++
2513,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",-++---+-+++-
2514,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-++---+-++-+
2515,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-++---+-++--
2516,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",-++---+-+-++
2517,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-++---+-+-+-
2518,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",-++---+-+--+
2519,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-++---+-+---
2520,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",-++---+--+++
2521,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",-++---+--++-
2522,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-++---+--+-+
2523,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",-++---+--+--
2524,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-++---+---++
2525,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",-++---+---+-
2526,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-++---+----+
2527,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",-++---+-----
2528,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",-++----+++++
2529,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",-++----++++-
2530,1906.90782289145,1907.91564792365,954.461736477926,"[('C', 13), ('N', 15)]",-++----+++-+
2531,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",-++----+++--
2532,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",-++----++-++
2533,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-++----++-+-
2534,1894.8738848112,1895.8817098434,948.444767437801,"[('C', 13), ('N', 15)]",-++----++--+
2535,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-++----++---
2536,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",-++----+-+++
2537,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",-++----+-++-
2538,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",-++----+-+-+
2539,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",-++----+-+--
2540,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-++----+--++
2541,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",-++----+--+-
2542,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-++----+---+
2543,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",-++----+----
2544,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",-++-----++++
2545,1905.910787997,1906.9186130292,953.963219030699,"[('C', 13), ('N', 15)]",-++-----+++-
2546,1900.89401382164,1901.90183885384,951.454831943018,"[('C', 13), ('N', 15)]",-++-----++-+
2547,1896.88691442197,1897.89473945417,949.451282243183,"[('C', 13), ('N', 15)]",-++-----++--
2548,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",-++-----+-++
2549,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",-++-----+-+-
2550,1888.86007574139,1889.86790077359,945.437862902893,"[('C', 13), ('N', 15)]",-++-----+--+
2551,1884.85297634172,1885.86080137392,943.434313203058,"[('C', 13), ('N', 15)]",-++-----+---
2552,1905.910787997,1906.9186130292,953.963219030699,"[('C', 13), ('N', 15)]",-++------+++
2553,1901.90368859733,1902.91151362953,951.959669330864,"[('C', 13), ('N', 15)]",-++------++-
2554,1896.88691442197,1897.89473945417,949.451282243183,"[('C', 13), ('N', 15)]",-++------+-+
2555,1892.87981502229,1893.88764005449,947.447732543347,"[('C', 13), ('N', 15)]",-++------+--
2556,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",-++-------++
2557,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",-++-------+-
2558,1884.85297634172,1885.86080137392,943.434313203058,"[('C', 13), ('N', 15)]",-++--------+
2559,1880.84587694204,1881.85370197424,941.430763503222,"[('C', 13), ('N', 15)]",-++---------
2560,1939.98061280513,1940.98843783733,970.998131434766,"[('C', 13), ('N', 15)]",-+-+++++++++
2561,1935.97351340546,1936.98133843766,968.99458173493,"[('C', 13), ('N', 15)]",-+-++++++++-
2562,1930.9567392301,1931.9645642623,966.486194647249,"[('C', 13), ('N', 15)]",-+-+++++++-+
2563,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",-+-+++++++--
2564,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",-+-++++++-++
2565,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",-+-++++++-+-
2566,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",-+-++++++--+
2567,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",-+-++++++---
2568,1935.97351340546,1936.98133843766,968.99458173493,"[('C', 13), ('N', 15)]",-+-+++++-+++
2569,1931.96641400579,1932.97423903799,966.991032035094,"[('C', 13), ('N', 15)]",-+-+++++-++-
2570,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",-+-+++++-+-+
2571,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",-+-+++++-+--
2572,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",-+-+++++--++
2573,1919.93247592554,1920.94030095774,960.97406299497,"[('C', 13), ('N', 15)]",-+-+++++--+-
2574,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",-+-+++++---+
2575,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",-+-+++++----
2576,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",-+-++++-++++
2577,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",-+-++++-+++-
2578,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",-+-++++-++-+
2579,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",-+-++++-++--
2580,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",-+-++++-+-++
2581,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",-+-++++-+-+-
2582,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",-+-++++-+--+
2583,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",-+-++++-+---
2584,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",-+-++++--+++
2585,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",-+-++++--++-
2586,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",-+-++++--+-+
2587,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",-+-++++--+--
2588,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",-+-++++---++
2589,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",-+-++++---+-
2590,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",-+-++++----+
2591,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",-+-++++-----
2592,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",-+-+++-+++++
2593,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",-+-+++-++++-
2594,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",-+-+++-+++-+
2595,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",-+-+++-+++--
2596,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",-+-+++-++-++
2597,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-+-+++-++-+-
2598,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",-+-+++-++--+
2599,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",-+-+++-++---
2600,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",-+-+++-+-+++
2601,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",-+-+++-+-++-
2602,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",-+-+++-+-+-+
2603,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",-+-+++-+-+--
2604,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-+-+++-+--++
2605,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-+-+++-+--+-
2606,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",-+-+++-+---+
2607,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",-+-+++-+----
2608,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-+-+++--++++
2609,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+-+++--+++-
2610,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-+-+++--++-+
2611,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+-+++--++--
2612,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-+-+++--+-++
2613,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+-+++--+-+-
2614,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-+-+++--+--+
2615,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+-+++--+---
2616,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+-+++---+++
2617,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-+-+++---++-
2618,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+-+++---+-+
2619,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-+-+++---+--
2620,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+-+++----++
2621,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-+-+++----+-
2622,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+-+++-----+
2623,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-+-+++------
2624,1935.97351340546,1936.98133843766,968.99458173493,"[('C', 13), ('N', 15)]",-+-++-++++++
2625,1931.96641400579,1932.97423903799,966.991032035094,"[('C', 13), ('N', 15)]",-+-++-+++++-
2626,1926.94963983043,1927.95746486263,964.482644947414,"[('C', 13), ('N', 15)]",-+-++-++++-+
2627,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",-+-++-++++--
2628,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",-+-++-+++-++
2629,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",-+-++-+++-+-
2630,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",-+-++-+++--+
2631,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",-+-++-+++---
2632,1931.96641400579,1932.97423903799,966.991032035094,"[('C', 13), ('N', 15)]",-+-++-++-+++
2633,1927.95931460612,1928.96713963832,964.987482335259,"[('C', 13), ('N', 15)]",-+-++-++-++-
2634,1922.94254043076,1923.95036546296,962.479095247578,"[('C', 13), ('N', 15)]",-+-++-++-+-+
2635,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",-+-++-++-+--
2636,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",-+-++-++--++
2637,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-+-++-++--+-
2638,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",-+-++-++---+
2639,1906.90150295083,1907.90932798304,954.458576507617,"[('C', 13), ('N', 15)]",-+-++-++----
2640,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",-+-++-+-++++
2641,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",-+-++-+-+++-
2642,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",-+-++-+-++-+
2643,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",-+-++-+-++--
2644,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",-+-++-+-+-++
2645,1913.91866685572,1914.92649188792,957.967158460061,"[('C', 13), ('N', 15)]",-+-++-+-+-+-
2646,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",-+-++-+-+--+
2647,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",-+-++-+-+---
2648,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",-+-++-+--+++
2649,1921.9455055363,1922.9533305685,961.980577800351,"[('C', 13), ('N', 15)]",-+-++-+--++-
2650,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",-+-++-+--+-+
2651,1912.92163196127,1913.92945699347,957.468641012834,"[('C', 13), ('N', 15)]",-+-++-+--+--
2652,1913.91866685572,1914.92649188792,957.967158460061,"[('C', 13), ('N', 15)]",-+-++-+---++
2653,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-+-++-+---+-
2654,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",-+-++-+----+
2655,1900.88769388102,1901.89551891322,951.451671972709,"[('C', 13), ('N', 15)]",-+-++-+-----
2656,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",-+-++--+++++
2657,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",-+-++--++++-
2658,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",-+-++--+++-+
2659,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",-+-++--+++--
2660,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-+-++--++-++
2661,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-+-++--++-+-
2662,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",-+-++--++--+
2663,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",-+-++--++---
2664,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",-+-++--+-+++
2665,1918.9417609717,1919.9495860039,960.478705518051,"[('C', 13), ('N', 15)]",-+-++--+-++-
2666,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",-+-++--+-+-+
2667,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",-+-++--+-+--
2668,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-+-++--+--++
2669,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",-+-++--+--+-
2670,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",-+-++--+---+
2671,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",-+-++--+----
2672,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+-++---++++
2673,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-+-++---+++-
2674,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+-++---++-+
2675,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-+-++---++--
2676,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+-++---+-++
2677,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-+-++---+-+-
2678,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+-++---+--+
2679,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-+-++---+---
2680,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-+-++----+++
2681,1912.92795190189,1913.93577693409,957.471800983143,"[('C', 13), ('N', 15)]",-+-++----++-
2682,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-+-++----+-+
2683,1903.90407832685,1904.91190335905,952.959864195627,"[('C', 13), ('N', 15)]",-+-++----+--
2684,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-+-++-----++
2685,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",-+-++-----+-
2686,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-+-++------+
2687,1891.8701402466,1892.8779652788,946.942895155502,"[('C', 13), ('N', 15)]",-+-++-------
2688,1930.96305917072,1931.97088420292,966.489354617558,"[('C', 13), ('N', 15)]",-+-+-+++++++
2689,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",-+-+-++++++-
2690,1921.93918559568,1922.94701062788,961.977417830042,"[('C', 13), ('N', 15)]",-+-+-+++++-+
2691,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",-+-+-+++++--
2692,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",-+-+-++++-++
2693,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-+-+-++++-+-
2694,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",-+-+-++++--+
2695,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",-+-+-++++---
2696,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",-+-+-+++-+++
2697,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",-+-+-+++-++-
2698,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",-+-+-+++-+-+
2699,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",-+-+-+++-+--
2700,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-+-+-+++--++
2701,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-+-+-+++--+-
2702,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",-+-+-+++---+
2703,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",-+-+-+++----
2704,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-+-+-++-++++
2705,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+-+-++-+++-
2706,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-+-+-++-++-+
2707,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+-+-++-++--
2708,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-+-+-++-+-++
2709,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+-+-++-+-+-
2710,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-+-+-++-+--+
2711,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+-+-++-+---
2712,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+-+-++--+++
2713,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-+-+-++--++-
2714,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+-+-++--+-+
2715,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-+-+-++--+--
2716,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+-+-++---++
2717,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-+-+-++---+-
2718,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+-+-++----+
2719,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-+-+-++-----
2720,1921.9455055363,1922.9533305685,961.980577800351,"[('C', 13), ('N', 15)]",-+-+-+-+++++
2721,1917.93840613663,1918.94623116883,959.977028100515,"[('C', 13), ('N', 15)]",-+-+-+-++++-
2722,1912.92163196127,1913.92945699347,957.468641012835,"[('C', 13), ('N', 15)]",-+-+-+-+++-+
2723,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",-+-+-+-+++--
2724,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-+-+-+-++-++
2725,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-+-+-+-++-+-
2726,1900.88769388102,1901.89551891322,951.45167197271,"[('C', 13), ('N', 15)]",-+-+-+-++--+
2727,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",-+-+-+-++---
2728,1917.93840613663,1918.94623116883,959.977028100515,"[('C', 13), ('N', 15)]",-+-+-+-+-+++
2729,1913.93130673696,1914.93913176916,957.97347840068,"[('C', 13), ('N', 15)]",-+-+-+-+-++-
2730,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",-+-+-+-+-+-+
2731,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",-+-+-+-+-+--
2732,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-+-+-+-+--++
2733,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",-+-+-+-+--+-
2734,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",-+-+-+-+---+
2735,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",-+-+-+-+----
2736,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",-+-+-+--++++
2737,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",-+-+-+--+++-
2738,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",-+-+-+--++-+
2739,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",-+-+-+--++--
2740,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",-+-+-+--+-++
2741,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-+-+-+--+-+-
2742,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",-+-+-+--+--+
2743,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-+-+-+--+---
2744,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",-+-+-+---+++
2745,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",-+-+-+---++-
2746,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",-+-+-+---+-+
2747,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",-+-+-+---+--
2748,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-+-+-+----++
2749,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",-+-+-+----+-
2750,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-+-+-+-----+
2751,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",-+-+-+------
2752,1926.95595977105,1927.96378480325,964.485804917723,"[('C', 13), ('N', 15)]",-+-+--++++++
2753,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",-+-+--+++++-
2754,1917.93208619601,1918.93991122821,959.973868130206,"[('C', 13), ('N', 15)]",-+-+--++++-+
2755,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",-+-+--++++--
2756,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-+-+--+++-++
2757,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-+-+--+++-+-
2758,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",-+-+--+++--+
2759,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",-+-+--+++---
2760,1922.94886037137,1923.95668540357,962.482255217887,"[('C', 13), ('N', 15)]",-+-+--++-+++
2761,1918.9417609717,1919.9495860039,960.478705518051,"[('C', 13), ('N', 15)]",-+-+--++-++-
2762,1913.92498679634,1914.93281182854,957.970318430371,"[('C', 13), ('N', 15)]",-+-+--++-+-+
2763,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",-+-+--++-+--
2764,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-+-+--++--++
2765,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",-+-+--++--+-
2766,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",-+-+--++---+
2767,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",-+-+--++----
2768,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+-+--+-++++
2769,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-+-+--+-+++-
2770,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+-+--+-++-+
2771,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-+-+--+-++--
2772,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+-+--+-+-++
2773,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-+-+--+-+-+-
2774,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+-+--+-+--+
2775,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-+-+--+-+---
2776,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-+-+--+--+++
2777,1912.92795190189,1913.93577693409,957.471800983143,"[('C', 13), ('N', 15)]",-+-+--+--++-
2778,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-+-+--+--+-+
2779,1903.90407832685,1904.91190335905,952.959864195627,"[('C', 13), ('N', 15)]",-+-+--+--+--
2780,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-+-+--+---++
2781,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",-+-+--+---+-
2782,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-+-+--+----+
2783,1891.8701402466,1892.8779652788,946.942895155502,"[('C', 13), ('N', 15)]",-+-+--+-----
2784,1917.93840613663,1918.94623116883,959.977028100515,"[('C', 13), ('N', 15)]",-+-+---+++++
2785,1913.93130673696,1914.93913176916,957.97347840068,"[('C', 13), ('N', 15)]",-+-+---++++-
2786,1908.9145325616,1909.9223575938,955.465091312999,"[('C', 13), ('N', 15)]",-+-+---+++-+
2787,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",-+-+---+++--
2788,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-+-+---++-++
2789,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",-+-+---++-+-
2790,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",-+-+---++--+
2791,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",-+-+---++---
2792,1913.93130673696,1914.93913176916,957.97347840068,"[('C', 13), ('N', 15)]",-+-+---+-+++
2793,1909.92420733729,1910.93203236949,955.969928700844,"[('C', 13), ('N', 15)]",-+-+---+-++-
2794,1904.90743316193,1905.91525819413,953.461541613163,"[('C', 13), ('N', 15)]",-+-+---+-+-+
2795,1900.90033376226,1901.90815879445,951.457991913328,"[('C', 13), ('N', 15)]",-+-+---+-+--
2796,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",-+-+---+--++
2797,1897.89026925704,1898.89809428924,949.952959660719,"[('C', 13), ('N', 15)]",-+-+---+--+-
2798,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",-+-+---+---+
2799,1888.86639568201,1889.87422071421,945.441022873203,"[('C', 13), ('N', 15)]",-+-+---+----
2800,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",-+-+----++++
2801,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",-+-+----+++-
2802,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",-+-+----++-+
2803,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",-+-+----++--
2804,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-+-+----+-++
2805,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",-+-+----+-+-
2806,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-+-+----+--+
2807,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",-+-+----+---
2808,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",-+-+-----+++
2809,1903.91039826747,1904.91822329967,952.963024165936,"[('C', 13), ('N', 15)]",-+-+-----++-
2810,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",-+-+-----+-+
2811,1894.88652469244,1895.89434972464,948.45108737842,"[('C', 13), ('N', 15)]",-+-+-----+--
2812,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",-+-+------++
2813,1891.87646018722,1892.88428521942,946.946055125811,"[('C', 13), ('N', 15)]",-+-+------+-
2814,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",-+-+-------+
2815,1882.85258661219,1883.86041164439,942.434118338295,"[('C', 13), ('N', 15)]",-+-+--------
2816,1933.96680373532,1934.97462876752,967.991226899858,"[('C', 13), ('N', 15)]",-+--++++++++
2817,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",-+--+++++++-
2818,1924.94293016028,1925.95075519248,963.479290112341,"[('C', 13), ('N', 15)]",-+--++++++-+
2819,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",-+--++++++--
2820,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",-+--+++++-++
2821,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",-+--+++++-+-
2822,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",-+--+++++--+
2823,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",-+--+++++---
2824,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",-+--++++-+++
2825,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",-+--++++-++-
2826,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",-+--++++-+-+
2827,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",-+--++++-+--
2828,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",-+--++++--++
2829,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",-+--++++--+-
2830,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",-+--++++---+
2831,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",-+--++++----
2832,1927.9529946655,1928.9608196977,964.98432236495,"[('C', 13), ('N', 15)]",-+--+++-++++
2833,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",-+--+++-+++-
2834,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",-+--+++-++-+
2835,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-+--+++-++--
2836,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",-+--+++-+-++
2837,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",-+--+++-+-+-
2838,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",-+--+++-+--+
2839,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",-+--+++-+---
2840,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",-+--+++--+++
2841,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",-+--+++--++-
2842,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-+--+++--+-+
2843,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-+--+++--+--
2844,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",-+--+++---++
2845,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",-+--+++---+-
2846,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",-+--+++----+
2847,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",-+--+++-----
2848,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-+--++-+++++
2849,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+--++-++++-
2850,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-+--++-+++-+
2851,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+--++-+++--
2852,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",-+--++-++-++
2853,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+--++-++-+-
2854,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-+--++-++--+
2855,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+--++-++---
2856,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+--++-+-+++
2857,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-+--++-+-++-
2858,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+--++-+-+-+
2859,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-+--++-+-+--
2860,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+--++-+--++
2861,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-+--++-+--+-
2862,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+--++-+---+
2863,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-+--++-+----
2864,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",-+--++--++++
2865,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",-+--++--+++-
2866,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-+--++--++-+
2867,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-+--++--++--
2868,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",-+--++--+-++
2869,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-+--++--+-+-
2870,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",-+--++--+--+
2871,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-+--++--+---
2872,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",-+--++---+++
2873,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",-+--++---++-
2874,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-+--++---+-+
2875,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",-+--++---+--
2876,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-+--++----++
2877,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",-+--++----+-
2878,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-+--++-----+
2879,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",-+--++------
2880,1929.95970433564,1930.96752936784,965.987677200022,"[('C', 13), ('N', 15)]",-+--+-++++++
2881,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",-+--+-+++++-
2882,1920.93583076061,1921.94365579281,961.475740412506,"[('C', 13), ('N', 15)]",-+--+-++++-+
2883,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",-+--+-++++--
2884,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",-+--+-+++-++
2885,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",-+--+-+++-+-
2886,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",-+--+-+++--+
2887,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",-+--+-+++---
2888,1925.95260493597,1926.96042996817,963.984127500186,"[('C', 13), ('N', 15)]",-+--+-++-+++
2889,1921.9455055363,1922.9533305685,961.980577800351,"[('C', 13), ('N', 15)]",-+--+-++-++-
2890,1916.92873136094,1917.93655639314,959.47219071267,"[('C', 13), ('N', 15)]",-+--+-++-+-+
2891,1912.92163196127,1913.92945699347,957.468641012835,"[('C', 13), ('N', 15)]",-+--+-++-+--
2892,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",-+--+-++--++
2893,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-+--+-++--+-
2894,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",-+--+-++---+
2895,1900.88769388102,1901.89551891322,951.45167197271,"[('C', 13), ('N', 15)]",-+--+-++----
2896,1923.94589526583,1924.95372029803,962.980772665114,"[('C', 13), ('N', 15)]",-+--+-+-++++
2897,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",-+--+-+-+++-
2898,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",-+--+-+-++-+
2899,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-+--+-+-++--
2900,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",-+--+-+-+-++
2901,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",-+--+-+-+-+-
2902,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",-+--+-+-+--+
2903,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",-+--+-+-+---
2904,1919.93879586616,1920.94662089836,960.977222965278,"[('C', 13), ('N', 15)]",-+--+-+--+++
2905,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",-+--+-+--++-
2906,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",-+--+-+--+-+
2907,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",-+--+-+--+--
2908,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",-+--+-+---++
2909,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",-+--+-+---+-
2910,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",-+--+-+----+
2911,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",-+--+-+-----
2912,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+--+--+++++
2913,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-+--+--++++-
2914,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+--+--+++-+
2915,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-+--+--+++--
2916,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+--+--++-++
2917,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-+--+--++-+-
2918,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+--+--++--+
2919,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-+--+--++---
2920,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-+--+--+-+++
2921,1912.92795190189,1913.93577693409,957.471800983143,"[('C', 13), ('N', 15)]",-+--+--+-++-
2922,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-+--+--+-+-+
2923,1903.90407832685,1904.91190335905,952.959864195627,"[('C', 13), ('N', 15)]",-+--+--+-+--
2924,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-+--+--+--++
2925,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",-+--+--+--+-
2926,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-+--+--+---+
2927,1891.8701402466,1892.8779652788,946.942895155502,"[('C', 13), ('N', 15)]",-+--+--+----
2928,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",-+--+---++++
2929,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",-+--+---+++-
2930,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-+--+---++-+
2931,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",-+--+---++--
2932,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-+--+---+-++
2933,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",-+--+---+-+-
2934,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-+--+---+--+
2935,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",-+--+---+---
2936,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",-+--+----+++
2937,1906.91414283207,1907.92196786427,954.464896448235,"[('C', 13), ('N', 15)]",-+--+----++-
2938,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",-+--+----+-+
2939,1897.89026925704,1898.89809428924,949.952959660719,"[('C', 13), ('N', 15)]",-+--+----+--
2940,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",-+--+-----++
2941,1894.88020475182,1895.88802978402,948.447927408111,"[('C', 13), ('N', 15)]",-+--+-----+-
2942,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",-+--+------+
2943,1885.85633117679,1886.86415620899,943.935990620594,"[('C', 13), ('N', 15)]",-+--+-------
2944,1924.9492501009,1925.9570751331,963.48245008265,"[('C', 13), ('N', 15)]",-+---+++++++
2945,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+---++++++-
2946,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",-+---+++++-+
2947,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+---+++++--
2948,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-+---++++-++
2949,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+---++++-+-
2950,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-+---++++--+
2951,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+---++++---
2952,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+---+++-+++
2953,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-+---+++-++-
2954,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+---+++-+-+
2955,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-+---+++-+--
2956,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+---+++--++
2957,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-+---+++--+-
2958,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+---+++---+
2959,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-+---+++----
2960,1918.93544103108,1919.94326606328,960.475545547742,"[('C', 13), ('N', 15)]",-+---++-++++
2961,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",-+---++-+++-
2962,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",-+---++-++-+
2963,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-+---++-++--
2964,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",-+---++-+-++
2965,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-+---++-+-+-
2966,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",-+---++-+--+
2967,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-+---++-+---
2968,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",-+---++--+++
2969,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",-+---++--++-
2970,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-+---++--+-+
2971,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",-+---++--+--
2972,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-+---++---++
2973,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",-+---++---+-
2974,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-+---++----+
2975,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",-+---++-----
2976,1915.93169646649,1916.93952149869,958.973673265443,"[('C', 13), ('N', 15)]",-+---+-+++++
2977,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",-+---+-++++-
2978,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",-+---+-+++-+
2979,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",-+---+-+++--
2980,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",-+---+-++-++
2981,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-+---+-++-+-
2982,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",-+---+-++--+
2983,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-+---+-++---
2984,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",-+---+-+-+++
2985,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",-+---+-+-++-
2986,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",-+---+-+-+-+
2987,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",-+---+-+-+--
2988,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-+---+-+--++
2989,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",-+---+-+--+-
2990,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-+---+-+---+
2991,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",-+---+-+----
2992,1909.91788739667,1910.92571242887,955.966768730535,"[('C', 13), ('N', 15)]",-+---+--++++
2993,1905.910787997,1906.9186130292,953.963219030699,"[('C', 13), ('N', 15)]",-+---+--+++-
2994,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",-+---+--++-+
2995,1896.88691442197,1897.89473945417,949.451282243183,"[('C', 13), ('N', 15)]",-+---+--++--
2996,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",-+---+--+-++
2997,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",-+---+--+-+-
2998,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",-+---+--+--+
2999,1884.85297634172,1885.86080137392,943.434313203058,"[('C', 13), ('N', 15)]",-+---+--+---
3000,1905.910787997,1906.9186130292,953.963219030699,"[('C', 13), ('N', 15)]",-+---+---+++
3001,1901.90368859733,1902.91151362953,951.959669330864,"[('C', 13), ('N', 15)]",-+---+---++-
3002,1896.88691442197,1897.89473945417,949.451282243183,"[('C', 13), ('N', 15)]",-+---+---+-+
3003,1892.87981502229,1893.88764005449,947.447732543347,"[('C', 13), ('N', 15)]",-+---+---+--
3004,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",-+---+----++
3005,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",-+---+----+-
3006,1884.85297634172,1885.86080137392,943.434313203058,"[('C', 13), ('N', 15)]",-+---+-----+
3007,1880.84587694204,1881.85370197424,941.430763503222,"[('C', 13), ('N', 15)]",-+---+------
3008,1920.94215070123,1921.94997573343,961.478900382815,"[('C', 13), ('N', 15)]",-+----++++++
3009,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-+----+++++-
3010,1911.9182771262,1912.9261021584,956.966963595298,"[('C', 13), ('N', 15)]",-+----++++-+
3011,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-+----++++--
3012,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-+----+++-++
3013,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-+----+++-+-
3014,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-+----+++--+
3015,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-+----+++---
3016,1916.93505130156,1917.94287633376,959.475350682979,"[('C', 13), ('N', 15)]",-+----++-+++
3017,1912.92795190189,1913.93577693409,957.471800983143,"[('C', 13), ('N', 15)]",-+----++-++-
3018,1907.91117772653,1908.91900275873,954.963413895463,"[('C', 13), ('N', 15)]",-+----++-+-+
3019,1903.90407832685,1904.91190335905,952.959864195627,"[('C', 13), ('N', 15)]",-+----++-+--
3020,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-+----++--++
3021,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",-+----++--+-
3022,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-+----++---+
3023,1891.8701402466,1892.8779652788,946.942895155502,"[('C', 13), ('N', 15)]",-+----++----
3024,1914.92834163141,1915.93616666361,958.471995847907,"[('C', 13), ('N', 15)]",-+----+-++++
3025,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",-+----+-+++-
3026,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",-+----+-++-+
3027,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",-+----+-++--
3028,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-+----+-+-++
3029,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",-+----+-+-+-
3030,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-+----+-+--+
3031,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",-+----+-+---
3032,1910.92124223174,1911.92906726394,956.468446148071,"[('C', 13), ('N', 15)]",-+----+--+++
3033,1906.91414283207,1907.92196786427,954.464896448235,"[('C', 13), ('N', 15)]",-+----+--++-
3034,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",-+----+--+-+
3035,1897.89026925704,1898.89809428924,949.952959660719,"[('C', 13), ('N', 15)]",-+----+--+--
3036,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",-+----+---++
3037,1894.88020475182,1895.88802978402,948.447927408111,"[('C', 13), ('N', 15)]",-+----+---+-
3038,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",-+----+----+
3039,1885.85633117679,1886.86415620899,943.935990620594,"[('C', 13), ('N', 15)]",-+----+-----
3040,1911.92459706681,1912.93242209901,956.970123565607,"[('C', 13), ('N', 15)]",-+-----+++++
3041,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",-+-----++++-
3042,1902.90072349178,1903.90854852398,952.458186778091,"[('C', 13), ('N', 15)]",-+-----+++-+
3043,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",-+-----+++--
3044,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-+-----++-++
3045,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",-+-----++-+-
3046,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-+-----++--+
3047,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",-+-----++---
3048,1907.91749766714,1908.92532269934,954.966573865772,"[('C', 13), ('N', 15)]",-+-----+-+++
3049,1903.91039826747,1904.91822329967,952.963024165936,"[('C', 13), ('N', 15)]",-+-----+-++-
3050,1898.89362409211,1899.90144912431,950.454637078255,"[('C', 13), ('N', 15)]",-+-----+-+-+
3051,1894.88652469244,1895.89434972464,948.45108737842,"[('C', 13), ('N', 15)]",-+-----+-+--
3052,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",-+-----+--++
3053,1891.87646018722,1892.88428521942,946.946055125811,"[('C', 13), ('N', 15)]",-+-----+--+-
3054,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",-+-----+---+
3055,1882.85258661219,1883.86041164439,942.434118338295,"[('C', 13), ('N', 15)]",-+-----+----
3056,1905.910787997,1906.9186130292,953.963219030699,"[('C', 13), ('N', 15)]",-+------++++
3057,1901.90368859733,1902.91151362953,951.959669330864,"[('C', 13), ('N', 15)]",-+------+++-
3058,1896.88691442197,1897.89473945417,949.451282243183,"[('C', 13), ('N', 15)]",-+------++-+
3059,1892.87981502229,1893.88764005449,947.447732543347,"[('C', 13), ('N', 15)]",-+------++--
3060,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",-+------+-++
3061,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",-+------+-+-
3062,1884.85297634172,1885.86080137392,943.434313203058,"[('C', 13), ('N', 15)]",-+------+--+
3063,1880.84587694204,1881.85370197424,941.430763503222,"[('C', 13), ('N', 15)]",-+------+---
3064,1901.90368859733,1902.91151362953,951.959669330864,"[('C', 13), ('N', 15)]",-+-------+++
3065,1897.89658919766,1898.90441422986,949.956119631028,"[('C', 13), ('N', 15)]",-+-------++-
3066,1892.87981502229,1893.88764005449,947.447732543347,"[('C', 13), ('N', 15)]",-+-------+-+
3067,1888.87271562262,1889.88054065482,945.444182843512,"[('C', 13), ('N', 15)]",-+-------+--
3068,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",-+--------++
3069,1885.86265111741,1886.87047614961,943.939150590903,"[('C', 13), ('N', 15)]",-+--------+-
3070,1880.84587694204,1881.85370197424,941.430763503222,"[('C', 13), ('N', 15)]",-+---------+
3071,1876.83877754237,1877.84660257457,939.427213803387,"[('C', 13), ('N', 15)]",-+----------
3072,1931.95377412455,1932.96159915675,966.984712094476,"[('C', 13), ('N', 15)]",--++++++++++
3073,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",--+++++++++-
3074,1922.92990054952,1923.93772558172,962.47277530696,"[('C', 13), ('N', 15)]",--++++++++-+
3075,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",--++++++++--
3076,1919.9198360443,1920.9276610765,960.967743054352,"[('C', 13), ('N', 15)]",--+++++++-++
3077,1915.91273664463,1916.92056167683,958.964193354516,"[('C', 13), ('N', 15)]",--+++++++-+-
3078,1910.89596246927,1911.90378750147,956.455806266835,"[('C', 13), ('N', 15)]",--+++++++--+
3079,1906.8888630696,1907.8966881018,954.452256567,"[('C', 13), ('N', 15)]",--+++++++---
3080,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",--++++++-+++
3081,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",--++++++-++-
3082,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",--++++++-+-+
3083,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",--++++++-+--
3084,1915.91273664463,1916.92056167683,958.964193354516,"[('C', 13), ('N', 15)]",--++++++--++
3085,1911.90563724496,1912.91346227716,956.96064365468,"[('C', 13), ('N', 15)]",--++++++--+-
3086,1906.8888630696,1907.8966881018,954.452256567,"[('C', 13), ('N', 15)]",--++++++---+
3087,1902.88176366993,1903.88958870213,952.448706867164,"[('C', 13), ('N', 15)]",--++++++----
3088,1925.93996505474,1926.94779008694,963.977807559568,"[('C', 13), ('N', 15)]",--+++++-++++
3089,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",--+++++-+++-
3090,1916.9160914797,1917.9239165119,959.465870772052,"[('C', 13), ('N', 15)]",--+++++-++-+
3091,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",--+++++-++--
3092,1913.90602697449,1914.91385200669,957.960838519444,"[('C', 13), ('N', 15)]",--+++++-+-++
3093,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",--+++++-+-+-
3094,1904.88215339945,1905.88997843165,953.448901731927,"[('C', 13), ('N', 15)]",--+++++-+--+
3095,1900.87505399978,1901.88287903198,951.445352032092,"[('C', 13), ('N', 15)]",--+++++-+---
3096,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",--+++++--+++
3097,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",--+++++--++-
3098,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",--+++++--+-+
3099,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",--+++++--+--
3100,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",--+++++---++
3101,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",--+++++---+-
3102,1900.87505399978,1901.88287903198,951.445352032092,"[('C', 13), ('N', 15)]",--+++++----+
3103,1896.86795460011,1897.87577963231,949.441802332256,"[('C', 13), ('N', 15)]",--+++++-----
3104,1922.93622049014,1923.94404552234,962.475935277269,"[('C', 13), ('N', 15)]",--++++-+++++
3105,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",--++++-++++-
3106,1913.91234691511,1914.92017194731,957.963998489753,"[('C', 13), ('N', 15)]",--++++-+++-+
3107,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",--++++-+++--
3108,1910.90228240989,1911.91010744209,956.458966237144,"[('C', 13), ('N', 15)]",--++++-++-++
3109,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",--++++-++-+-
3110,1901.87840883486,1902.88623386706,951.947029449628,"[('C', 13), ('N', 15)]",--++++-++--+
3111,1897.87130943518,1898.87913446738,949.943479749792,"[('C', 13), ('N', 15)]",--++++-++---
3112,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",--++++-+-+++
3113,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",--++++-+-++-
3114,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",--++++-+-+-+
3115,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",--++++-+-+--
3116,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",--++++-+--++
3117,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",--++++-+--+-
3118,1897.87130943518,1898.87913446738,949.943479749792,"[('C', 13), ('N', 15)]",--++++-+---+
3119,1893.86421003551,1894.87203506771,947.939930049957,"[('C', 13), ('N', 15)]",--++++-+----
3120,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",--++++--++++
3121,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",--++++--+++-
3122,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",--++++--++-+
3123,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",--++++--++--
3124,1904.88847334007,1905.89629837227,953.452061702236,"[('C', 13), ('N', 15)]",--++++--+-++
3125,1900.8813739404,1901.8891989726,951.4485120024,"[('C', 13), ('N', 15)]",--++++--+-+-
3126,1895.86459976504,1896.87242479724,948.94012491472,"[('C', 13), ('N', 15)]",--++++--+--+
3127,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",--++++--+---
3128,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",--++++---+++
3129,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",--++++---++-
3130,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",--++++---+-+
3131,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",--++++---+--
3132,1900.8813739404,1901.8891989726,951.4485120024,"[('C', 13), ('N', 15)]",--++++----++
3133,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",--++++----+-
3134,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",--++++-----+
3135,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",--++++------
3136,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",--+++-++++++
3137,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",--+++-+++++-
3138,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",--+++-++++-+
3139,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",--+++-++++--
3140,1915.91273664463,1916.92056167683,958.964193354516,"[('C', 13), ('N', 15)]",--+++-+++-++
3141,1911.90563724496,1912.91346227716,956.96064365468,"[('C', 13), ('N', 15)]",--+++-+++-+-
3142,1906.8888630696,1907.8966881018,954.452256567,"[('C', 13), ('N', 15)]",--+++-+++--+
3143,1902.88176366993,1903.88958870213,952.448706867164,"[('C', 13), ('N', 15)]",--+++-+++---
3144,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",--+++-++-+++
3145,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",--+++-++-++-
3146,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",--+++-++-+-+
3147,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",--+++-++-+--
3148,1911.90563724496,1912.91346227716,956.96064365468,"[('C', 13), ('N', 15)]",--+++-++--++
3149,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",--+++-++--+-
3150,1902.88176366993,1903.88958870213,952.448706867164,"[('C', 13), ('N', 15)]",--+++-++---+
3151,1898.87466427026,1899.88248930246,950.445157167328,"[('C', 13), ('N', 15)]",--+++-++----
3152,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",--+++-+-++++
3153,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",--+++-+-+++-
3154,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",--+++-+-++-+
3155,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",--+++-+-++--
3156,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",--+++-+-+-++
3157,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",--+++-+-+-+-
3158,1900.87505399978,1901.88287903198,951.445352032092,"[('C', 13), ('N', 15)]",--+++-+-+--+
3159,1896.86795460011,1897.87577963231,949.441802332256,"[('C', 13), ('N', 15)]",--+++-+-+---
3160,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",--+++-+--+++
3161,1913.91866685572,1914.92649188792,957.967158460061,"[('C', 13), ('N', 15)]",--+++-+--++-
3162,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",--+++-+--+-+
3163,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",--+++-+--+--
3164,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",--+++-+---++
3165,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",--+++-+---+-
3166,1896.86795460011,1897.87577963231,949.441802332256,"[('C', 13), ('N', 15)]",--+++-+----+
3167,1892.86085520044,1893.86868023264,947.43825263242,"[('C', 13), ('N', 15)]",--+++-+-----
3168,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",--+++--+++++
3169,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",--+++--++++-
3170,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",--+++--+++-+
3171,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",--+++--+++--
3172,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",--+++--++-++
3173,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",--+++--++-+-
3174,1897.87130943518,1898.87913446738,949.943479749792,"[('C', 13), ('N', 15)]",--+++--++--+
3175,1893.86421003551,1894.87203506771,947.939930049957,"[('C', 13), ('N', 15)]",--+++--++---
3176,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",--+++--+-+++
3177,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",--+++--+-++-
3178,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",--+++--+-+-+
3179,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",--+++--+-+--
3180,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",--+++--+--++
3181,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",--+++--+--+-
3182,1893.86421003551,1894.87203506771,947.939930049957,"[('C', 13), ('N', 15)]",--+++--+---+
3183,1889.85711063584,1890.86493566804,945.936380350121,"[('C', 13), ('N', 15)]",--+++--+----
3184,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",--+++---++++
3185,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",--+++---+++-
3186,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",--+++---++-+
3187,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",--+++---++--
3188,1900.8813739404,1901.8891989726,951.4485120024,"[('C', 13), ('N', 15)]",--+++---+-++
3189,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",--+++---+-+-
3190,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",--+++---+--+
3191,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",--+++---+---
3192,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",--+++----+++
3193,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",--+++----++-
3194,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",--+++----+-+
3195,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",--+++----+--
3196,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",--+++-----++
3197,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",--+++-----+-
3198,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",--+++------+
3199,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",--+++-------
3200,1922.93622049014,1923.94404552234,962.475935277269,"[('C', 13), ('N', 15)]",--++-+++++++
3201,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",--++-++++++-
3202,1913.91234691511,1914.92017194731,957.963998489753,"[('C', 13), ('N', 15)]",--++-+++++-+
3203,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",--++-+++++--
3204,1910.90228240989,1911.91010744209,956.458966237144,"[('C', 13), ('N', 15)]",--++-++++-++
3205,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",--++-++++-+-
3206,1901.87840883486,1902.88623386706,951.947029449628,"[('C', 13), ('N', 15)]",--++-++++--+
3207,1897.87130943518,1898.87913446738,949.943479749792,"[('C', 13), ('N', 15)]",--++-++++---
3208,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",--++-+++-+++
3209,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",--++-+++-++-
3210,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",--++-+++-+-+
3211,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",--++-+++-+--
3212,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",--++-+++--++
3213,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",--++-+++--+-
3214,1897.87130943518,1898.87913446738,949.943479749792,"[('C', 13), ('N', 15)]",--++-+++---+
3215,1893.86421003551,1894.87203506771,947.939930049957,"[('C', 13), ('N', 15)]",--++-+++----
3216,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",--++-++-++++
3217,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",--++-++-+++-
3218,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",--++-++-++-+
3219,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",--++-++-++--
3220,1904.88847334007,1905.89629837227,953.452061702236,"[('C', 13), ('N', 15)]",--++-++-+-++
3221,1900.8813739404,1901.8891989726,951.4485120024,"[('C', 13), ('N', 15)]",--++-++-+-+-
3222,1895.86459976504,1896.87242479724,948.94012491472,"[('C', 13), ('N', 15)]",--++-++-+--+
3223,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",--++-++-+---
3224,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",--++-++--+++
3225,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",--++-++--++-
3226,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",--++-++--+-+
3227,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",--++-++--+--
3228,1900.8813739404,1901.8891989726,951.4485120024,"[('C', 13), ('N', 15)]",--++-++---++
3229,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",--++-++---+-
3230,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",--++-++----+
3231,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",--++-++-----
3232,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",--++-+-+++++
3233,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",--++-+-++++-
3234,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",--++-+-+++-+
3235,1900.88769388102,1901.89551891322,951.45167197271,"[('C', 13), ('N', 15)]",--++-+-+++--
3236,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",--++-+-++-++
3237,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",--++-+-++-+-
3238,1892.86085520044,1893.86868023264,947.43825263242,"[('C', 13), ('N', 15)]",--++-+-++--+
3239,1888.85375580077,1889.86158083297,945.434702932585,"[('C', 13), ('N', 15)]",--++-+-++---
3240,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",--++-+-+-+++
3241,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",--++-+-+-++-
3242,1900.88769388102,1901.89551891322,951.45167197271,"[('C', 13), ('N', 15)]",--++-+-+-+-+
3243,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",--++-+-+-+--
3244,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",--++-+-+--++
3245,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",--++-+-+--+-
3246,1888.85375580077,1889.86158083297,945.434702932585,"[('C', 13), ('N', 15)]",--++-+-+---+
3247,1884.8466564011,1885.8544814333,943.431153232749,"[('C', 13), ('N', 15)]",--++-+-+----
3248,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",--++-+--++++
3249,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",--++-+--+++-
3250,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",--++-+--++-+
3251,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",--++-+--++--
3252,1895.87091970566,1896.87874473786,948.943284885029,"[('C', 13), ('N', 15)]",--++-+--+-++
3253,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",--++-+--+-+-
3254,1886.84704613062,1887.85487116282,944.431348097512,"[('C', 13), ('N', 15)]",--++-+--+--+
3255,1882.83994673095,1883.84777176315,942.427798397677,"[('C', 13), ('N', 15)]",--++-+--+---
3256,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",--++-+---+++
3257,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",--++-+---++-
3258,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",--++-+---+-+
3259,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",--++-+---+--
3260,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",--++-+----++
3261,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",--++-+----+-
3262,1882.83994673095,1883.84777176315,942.427798397677,"[('C', 13), ('N', 15)]",--++-+-----+
3263,1878.83284733128,1879.84067236348,940.424248697841,"[('C', 13), ('N', 15)]",--++-+------
3264,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",--++--++++++
3265,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",--++--+++++-
3266,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",--++--++++-+
3267,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",--++--++++--
3268,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",--++--+++-++
3269,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",--++--+++-+-
3270,1897.87130943518,1898.87913446738,949.943479749792,"[('C', 13), ('N', 15)]",--++--+++--+
3271,1893.86421003551,1894.87203506771,947.939930049957,"[('C', 13), ('N', 15)]",--++--+++---
3272,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",--++--++-+++
3273,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",--++--++-++-
3274,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",--++--++-+-+
3275,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",--++--++-+--
3276,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",--++--++--++
3277,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",--++--++--+-
3278,1893.86421003551,1894.87203506771,947.939930049957,"[('C', 13), ('N', 15)]",--++--++---+
3279,1889.85711063584,1890.86493566804,945.936380350121,"[('C', 13), ('N', 15)]",--++--++----
3280,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",--++--+-++++
3281,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",--++--+-+++-
3282,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",--++--+-++-+
3283,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",--++--+-++--
3284,1900.8813739404,1901.8891989726,951.4485120024,"[('C', 13), ('N', 15)]",--++--+-+-++
3285,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",--++--+-+-+-
3286,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",--++--+-+--+
3287,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",--++--+-+---
3288,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",--++--+--+++
3289,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",--++--+--++-
3290,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",--++--+--+-+
3291,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",--++--+--+--
3292,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",--++--+---++
3293,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",--++--+---+-
3294,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",--++--+----+
3295,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",--++--+-----
3296,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",--++---+++++
3297,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",--++---++++-
3298,1900.88769388102,1901.89551891322,951.451671972709,"[('C', 13), ('N', 15)]",--++---+++-+
3299,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",--++---+++--
3300,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",--++---++-++
3301,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",--++---++-+-
3302,1888.85375580077,1889.86158083297,945.434702932585,"[('C', 13), ('N', 15)]",--++---++--+
3303,1884.8466564011,1885.8544814333,943.431153232749,"[('C', 13), ('N', 15)]",--++---++---
3304,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",--++---+-+++
3305,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",--++---+-++-
3306,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",--++---+-+-+
3307,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",--++---+-+--
3308,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",--++---+--++
3309,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",--++---+--+-
3310,1884.8466564011,1885.8544814333,943.431153232749,"[('C', 13), ('N', 15)]",--++---+---+
3311,1880.83955700143,1881.84738203363,941.427603532913,"[('C', 13), ('N', 15)]",--++---+----
3312,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",--++----++++
3313,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",--++----+++-
3314,1894.8738848112,1895.8817098434,948.444767437801,"[('C', 13), ('N', 15)]",--++----++-+
3315,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",--++----++--
3316,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",--++----+-++
3317,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",--++----+-+-
3318,1882.83994673095,1883.84777176315,942.427798397677,"[('C', 13), ('N', 15)]",--++----+--+
3319,1878.83284733128,1879.84067236348,940.424248697841,"[('C', 13), ('N', 15)]",--++----+---
3320,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",--++-----+++
3321,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",--++-----++-
3322,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",--++-----+-+
3323,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",--++-----+--
3324,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",--++------++
3325,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",--++------+-
3326,1878.83284733128,1879.84067236348,940.424248697841,"[('C', 13), ('N', 15)]",--++-------+
3327,1874.82574793161,1875.83357296381,938.420698998005,"[('C', 13), ('N', 15)]",--++--------
3328,1925.93996505474,1926.94779008694,963.977807559569,"[('C', 13), ('N', 15)]",--+-++++++++
3329,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",--+-+++++++-
3330,1916.9160914797,1917.9239165119,959.465870772052,"[('C', 13), ('N', 15)]",--+-++++++-+
3331,1912.90899208003,1913.91681711223,957.462321072217,"[('C', 13), ('N', 15)]",--+-++++++--
3332,1913.90602697449,1914.91385200669,957.960838519444,"[('C', 13), ('N', 15)]",--+-+++++-++
3333,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",--+-+++++-+-
3334,1904.88215339945,1905.88997843165,953.448901731927,"[('C', 13), ('N', 15)]",--+-+++++--+
3335,1900.87505399978,1901.88287903198,951.445352032092,"[('C', 13), ('N', 15)]",--+-+++++---
3336,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",--+-++++-+++
3337,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",--+-++++-++-
3338,1912.90899208003,1913.91681711223,957.462321072217,"[('C', 13), ('N', 15)]",--+-++++-+-+
3339,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",--+-++++-+--
3340,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",--+-++++--++
3341,1905.89182817515,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",--+-++++--+-
3342,1900.87505399978,1901.88287903198,951.445352032092,"[('C', 13), ('N', 15)]",--+-++++---+
3343,1896.86795460011,1897.87577963231,949.441802332256,"[('C', 13), ('N', 15)]",--+-++++----
3344,1919.92615598492,1920.93398101712,960.970903024661,"[('C', 13), ('N', 15)]",--+-+++-++++
3345,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",--+-+++-+++-
3346,1910.90228240989,1911.91010744209,956.458966237144,"[('C', 13), ('N', 15)]",--+-+++-++-+
3347,1906.89518301022,1907.90300804242,954.455416537309,"[('C', 13), ('N', 15)]",--+-+++-++--
3348,1907.89221790467,1908.90004293687,954.953933984536,"[('C', 13), ('N', 15)]",--+-+++-+-++
3349,1903.885118505,1904.8929435372,952.9503842847,"[('C', 13), ('N', 15)]",--+-+++-+-+-
3350,1898.86834432964,1899.87616936184,950.441997197019,"[('C', 13), ('N', 15)]",--+-+++-+--+
3351,1894.86124492997,1895.86906996217,948.438447497184,"[('C', 13), ('N', 15)]",--+-+++-+---
3352,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",--+-+++--+++
3353,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",--+-+++--++-
3354,1906.89518301022,1907.90300804242,954.455416537309,"[('C', 13), ('N', 15)]",--+-+++--+-+
3355,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",--+-+++--+--
3356,1903.885118505,1904.8929435372,952.9503842847,"[('C', 13), ('N', 15)]",--+-+++---++
3357,1899.87801910533,1900.88584413753,950.946834584864,"[('C', 13), ('N', 15)]",--+-+++---+-
3358,1894.86124492997,1895.86906996217,948.438447497184,"[('C', 13), ('N', 15)]",--+-+++----+
3359,1890.8541455303,1891.8619705625,946.434897797348,"[('C', 13), ('N', 15)]",--+-+++-----
3360,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",--+-++-+++++
3361,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",--+-++-++++-
3362,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",--+-++-+++-+
3363,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",--+-++-+++--
3364,1904.88847334007,1905.89629837227,953.452061702236,"[('C', 13), ('N', 15)]",--+-++-++-++
3365,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",--+-++-++-+-
3366,1895.86459976504,1896.87242479724,948.94012491472,"[('C', 13), ('N', 15)]",--+-++-++--+
3367,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",--+-++-++---
3368,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",--+-++-+-+++
3369,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",--+-++-+-++-
3370,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",--+-++-+-+-+
3371,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",--+-++-+-+--
3372,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",--+-++-+--++
3373,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",--+-++-+--+-
3374,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",--+-++-+---+
3375,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",--+-++-+----
3376,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",--+-++--++++
3377,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",--+-++--+++-
3378,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",--+-++--++-+
3379,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",--+-++--++--
3380,1898.87466427026,1899.88248930246,950.445157167328,"[('C', 13), ('N', 15)]",--+-++--+-++
3381,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",--+-++--+-+-
3382,1889.85079069522,1890.85861572742,945.933220379812,"[('C', 13), ('N', 15)]",--+-++--+--+
3383,1885.84369129555,1886.85151632775,943.929670679976,"[('C', 13), ('N', 15)]",--+-++--+---
3384,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",--+-++---+++
3385,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",--+-++---++-
3386,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",--+-++---+-+
3387,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",--+-++---+--
3388,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",--+-++----++
3389,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",--+-++----+-
3390,1885.84369129555,1886.85151632775,943.929670679976,"[('C', 13), ('N', 15)]",--+-++-----+
3391,1881.83659189588,1882.84441692808,941.926120980141,"[('C', 13), ('N', 15)]",--+-++------
3392,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",--+-+-++++++
3393,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",--+-+-+++++-
3394,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",--+-+-++++-+
3395,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",--+-+-++++--
3396,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",--+-+-+++-++
3397,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",--+-+-+++-+-
3398,1900.87505399978,1901.88287903198,951.445352032092,"[('C', 13), ('N', 15)]",--+-+-+++--+
3399,1896.86795460011,1897.87577963231,949.441802332256,"[('C', 13), ('N', 15)]",--+-+-+++---
3400,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",--+-+-++-+++
3401,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",--+-+-++-++-
3402,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",--+-+-++-+-+
3403,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",--+-+-++-+--
3404,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",--+-+-++--++
3405,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",--+-+-++--+-
3406,1896.86795460011,1897.87577963231,949.441802332256,"[('C', 13), ('N', 15)]",--+-+-++---+
3407,1892.86085520044,1893.86868023264,947.43825263242,"[('C', 13), ('N', 15)]",--+-+-++----
3408,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",--+-+-+-++++
3409,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",--+-+-+-+++-
3410,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",--+-+-+-++-+
3411,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",--+-+-+-++--
3412,1903.885118505,1904.8929435372,952.9503842847,"[('C', 13), ('N', 15)]",--+-+-+-+-++
3413,1899.87801910533,1900.88584413753,950.946834584864,"[('C', 13), ('N', 15)]",--+-+-+-+-+-
3414,1894.86124492997,1895.86906996217,948.438447497184,"[('C', 13), ('N', 15)]",--+-+-+-+--+
3415,1890.8541455303,1891.8619705625,946.434897797348,"[('C', 13), ('N', 15)]",--+-+-+-+---
3416,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",--+-+-+--+++
3417,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",--+-+-+--++-
3418,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",--+-+-+--+-+
3419,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",--+-+-+--+--
3420,1899.87801910533,1900.88584413753,950.946834584864,"[('C', 13), ('N', 15)]",--+-+-+---++
3421,1895.87091970566,1896.87874473786,948.943284885029,"[('C', 13), ('N', 15)]",--+-+-+---+-
3422,1890.8541455303,1891.8619705625,946.434897797348,"[('C', 13), ('N', 15)]",--+-+-+----+
3423,1886.84704613062,1887.85487116282,944.431348097512,"[('C', 13), ('N', 15)]",--+-+-+-----
3424,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",--+-+--+++++
3425,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",--+-+--++++-
3426,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",--+-+--+++-+
3427,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",--+-+--+++--
3428,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",--+-+--++-++
3429,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",--+-+--++-+-
3430,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",--+-+--++--+
3431,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",--+-+--++---
3432,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",--+-+--+-+++
3433,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",--+-+--+-++-
3434,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",--+-+--+-+-+
3435,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",--+-+--+-+--
3436,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",--+-+--+--++
3437,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",--+-+--+--+-
3438,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",--+-+--+---+
3439,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",--+-+--+----
3440,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",--+-+---++++
3441,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",--+-+---+++-
3442,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",--+-+---++-+
3443,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",--+-+---++--
3444,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",--+-+---+-++
3445,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",--+-+---+-+-
3446,1885.84369129555,1886.85151632775,943.929670679976,"[('C', 13), ('N', 15)]",--+-+---+--+
3447,1881.83659189588,1882.84441692808,941.926120980141,"[('C', 13), ('N', 15)]",--+-+---+---
3448,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",--+-+----+++
3449,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",--+-+----++-
3450,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",--+-+----+-+
3451,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",--+-+----+--
3452,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",--+-+-----++
3453,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",--+-+-----+-
3454,1881.83659189588,1882.84441692808,941.926120980141,"[('C', 13), ('N', 15)]",--+-+------+
3455,1877.82949249621,1878.83731752841,939.922571280305,"[('C', 13), ('N', 15)]",--+-+-------
3456,1916.92241142032,1917.93023645252,959.469030742361,"[('C', 13), ('N', 15)]",--+--+++++++
3457,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",--+--++++++-
3458,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",--+--+++++-+
3459,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",--+--+++++--
3460,1904.88847334007,1905.89629837227,953.452061702236,"[('C', 13), ('N', 15)]",--+--++++-++
3461,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",--+--++++-+-
3462,1895.86459976504,1896.87242479724,948.94012491472,"[('C', 13), ('N', 15)]",--+--++++--+
3463,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",--+--++++---
3464,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",--+--+++-+++
3465,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",--+--+++-++-
3466,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",--+--+++-+-+
3467,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",--+--+++-+--
3468,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",--+--+++--++
3469,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",--+--+++--+-
3470,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",--+--+++---+
3471,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",--+--+++----
3472,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",--+--++-++++
3473,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",--+--++-+++-
3474,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",--+--++-++-+
3475,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",--+--++-++--
3476,1898.87466427026,1899.88248930246,950.445157167328,"[('C', 13), ('N', 15)]",--+--++-+-++
3477,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",--+--++-+-+-
3478,1889.85079069522,1890.85861572742,945.933220379812,"[('C', 13), ('N', 15)]",--+--++-+--+
3479,1885.84369129555,1886.85151632775,943.929670679976,"[('C', 13), ('N', 15)]",--+--++-+---
3480,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",--+--++--+++
3481,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",--+--++--++-
3482,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",--+--++--+-+
3483,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",--+--++--+--
3484,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",--+--++---++
3485,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",--+--++---+-
3486,1885.84369129555,1886.85151632775,943.929670679976,"[('C', 13), ('N', 15)]",--+--++----+
3487,1881.83659189588,1882.84441692808,941.926120980141,"[('C', 13), ('N', 15)]",--+--++-----
3488,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",--+--+-+++++
3489,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",--+--+-++++-
3490,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",--+--+-+++-+
3491,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",--+--+-+++--
3492,1895.87091970566,1896.87874473786,948.943284885029,"[('C', 13), ('N', 15)]",--+--+-++-++
3493,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",--+--+-++-+-
3494,1886.84704613062,1887.85487116282,944.431348097512,"[('C', 13), ('N', 15)]",--+--+-++--+
3495,1882.83994673095,1883.84777176315,942.427798397677,"[('C', 13), ('N', 15)]",--+--+-++---
3496,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",--+--+-+-+++
3497,1899.89065898657,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",--+--+-+-++-
3498,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",--+--+-+-+-+
3499,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",--+--+-+-+--
3500,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",--+--+-+--++
3501,1887.85672090632,1888.86454593852,944.936185485358,"[('C', 13), ('N', 15)]",--+--+-+--+-
3502,1882.83994673095,1883.84777176315,942.427798397677,"[('C', 13), ('N', 15)]",--+--+-+---+
3503,1878.83284733128,1879.84067236348,940.424248697841,"[('C', 13), ('N', 15)]",--+--+-+----
3504,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",--+--+--++++
3505,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",--+--+--+++-
3506,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",--+--+--++-+
3507,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",--+--+--++--
3508,1889.85711063584,1890.86493566804,945.936380350121,"[('C', 13), ('N', 15)]",--+--+--+-++
3509,1885.85001123617,1886.85783626837,943.932830650285,"[('C', 13), ('N', 15)]",--+--+--+-+-
3510,1880.83323706081,1881.84106209301,941.424443562604,"[('C', 13), ('N', 15)]",--+--+--+--+
3511,1876.82613766114,1877.83396269334,939.420893862769,"[('C', 13), ('N', 15)]",--+--+--+---
3512,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",--+--+---+++
3513,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",--+--+---++-
3514,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",--+--+---+-+
3515,1884.85297634172,1885.86080137392,943.434313203058,"[('C', 13), ('N', 15)]",--+--+---+--
3516,1885.85001123617,1886.85783626837,943.932830650285,"[('C', 13), ('N', 15)]",--+--+----++
3517,1881.8429118365,1882.8507368687,941.92928095045,"[('C', 13), ('N', 15)]",--+--+----+-
3518,1876.82613766114,1877.83396269334,939.420893862769,"[('C', 13), ('N', 15)]",--+--+-----+
3519,1872.81903826147,1873.82686329367,937.417344162933,"[('C', 13), ('N', 15)]",--+--+------
3520,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",--+---++++++
3521,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",--+---+++++-
3522,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",--+---++++-+
3523,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",--+---++++--
3524,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",--+---+++-++
3525,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",--+---+++-+-
3526,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",--+---+++--+
3527,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",--+---+++---
3528,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",--+---++-+++
3529,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",--+---++-++-
3530,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",--+---++-+-+
3531,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",--+---++-+--
3532,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",--+---++--++
3533,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",--+---++--+-
3534,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",--+---++---+
3535,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",--+---++----
3536,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",--+---+-++++
3537,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",--+---+-+++-
3538,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",--+---+-++-+
3539,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",--+---+-++--
3540,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",--+---+-+-++
3541,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",--+---+-+-+-
3542,1885.84369129555,1886.85151632775,943.929670679976,"[('C', 13), ('N', 15)]",--+---+-+--+
3543,1881.83659189588,1882.84441692808,941.926120980141,"[('C', 13), ('N', 15)]",--+---+-+---
3544,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",--+---+--+++
3545,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",--+---+--++-
3546,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",--+---+--+-+
3547,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",--+---+--+--
3548,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",--+---+---++
3549,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",--+---+---+-
3550,1881.83659189588,1882.84441692808,941.926120980141,"[('C', 13), ('N', 15)]",--+---+----+
3551,1877.82949249621,1878.83731752841,939.922571280305,"[('C', 13), ('N', 15)]",--+---+-----
3552,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",--+----+++++
3553,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",--+----++++-
3554,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",--+----+++-+
3555,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",--+----+++--
3556,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",--+----++-++
3557,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",--+----++-+-
3558,1882.83994673095,1883.84777176315,942.427798397677,"[('C', 13), ('N', 15)]",--+----++--+
3559,1878.83284733128,1879.84067236348,940.424248697841,"[('C', 13), ('N', 15)]",--+----++---
3560,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",--+----+-+++
3561,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",--+----+-++-
3562,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",--+----+-+-+
3563,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",--+----+-+--
3564,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",--+----+--++
3565,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",--+----+--+-
3566,1878.83284733128,1879.84067236348,940.424248697841,"[('C', 13), ('N', 15)]",--+----+---+
3567,1874.82574793161,1875.83357296381,938.420698998005,"[('C', 13), ('N', 15)]",--+----+----
3568,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",--+-----++++
3569,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",--+-----+++-
3570,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",--+-----++-+
3571,1884.85297634172,1885.86080137392,943.434313203058,"[('C', 13), ('N', 15)]",--+-----++--
3572,1885.85001123617,1886.85783626837,943.932830650285,"[('C', 13), ('N', 15)]",--+-----+-++
3573,1881.8429118365,1882.8507368687,941.929280950449,"[('C', 13), ('N', 15)]",--+-----+-+-
3574,1876.82613766114,1877.83396269334,939.420893862769,"[('C', 13), ('N', 15)]",--+-----+--+
3575,1872.81903826147,1873.82686329367,937.417344162933,"[('C', 13), ('N', 15)]",--+-----+---
3576,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",--+------+++
3577,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",--+------++-
3578,1884.85297634172,1885.86080137392,943.434313203058,"[('C', 13), ('N', 15)]",--+------+-+
3579,1880.84587694204,1881.85370197424,941.430763503222,"[('C', 13), ('N', 15)]",--+------+--
3580,1881.8429118365,1882.8507368687,941.929280950449,"[('C', 13), ('N', 15)]",--+-------++
3581,1877.83581243683,1878.84363746903,939.925731250614,"[('C', 13), ('N', 15)]",--+-------+-
3582,1872.81903826147,1873.82686329367,937.417344162933,"[('C', 13), ('N', 15)]",--+--------+
3583,1868.8119388618,1869.81976389399,935.413794463097,"[('C', 13), ('N', 15)]",--+---------
3584,1927.94667472488,1928.95449975708,964.981162394641,"[('C', 13), ('N', 15)]",---+++++++++
3585,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",---++++++++-
3586,1918.92280114985,1919.93062618205,960.469225607124,"[('C', 13), ('N', 15)]",---+++++++-+
3587,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",---+++++++--
3588,1915.91273664463,1916.92056167683,958.964193354516,"[('C', 13), ('N', 15)]",---++++++-++
3589,1911.90563724496,1912.91346227716,956.96064365468,"[('C', 13), ('N', 15)]",---++++++-+-
3590,1906.8888630696,1907.8966881018,954.452256567,"[('C', 13), ('N', 15)]",---++++++--+
3591,1902.88176366993,1903.88958870213,952.448706867164,"[('C', 13), ('N', 15)]",---++++++---
3592,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",---+++++-+++
3593,1919.93247592554,1920.94030095774,960.97406299497,"[('C', 13), ('N', 15)]",---+++++-++-
3594,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",---+++++-+-+
3595,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",---+++++-+--
3596,1911.90563724496,1912.91346227716,956.96064365468,"[('C', 13), ('N', 15)]",---+++++--++
3597,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",---+++++--+-
3598,1902.88176366993,1903.88958870213,952.448706867164,"[('C', 13), ('N', 15)]",---+++++---+
3599,1898.87466427026,1899.88248930246,950.445157167328,"[('C', 13), ('N', 15)]",---+++++----
3600,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",---++++-++++
3601,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",---++++-+++-
3602,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",---++++-++-+
3603,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",---++++-++--
3604,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",---++++-+-++
3605,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",---++++-+-+-
3606,1900.87505399978,1901.88287903198,951.445352032092,"[('C', 13), ('N', 15)]",---++++-+--+
3607,1896.86795460011,1897.87577963231,949.441802332256,"[('C', 13), ('N', 15)]",---++++-+---
3608,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",---++++--+++
3609,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",---++++--++-
3610,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",---++++--+-+
3611,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",---++++--+--
3612,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",---++++---++
3613,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",---++++---+-
3614,1896.86795460011,1897.87577963231,949.441802332256,"[('C', 13), ('N', 15)]",---++++----+
3615,1892.86085520044,1893.86868023264,947.43825263242,"[('C', 13), ('N', 15)]",---++++-----
3616,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",---+++-+++++
3617,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",---+++-++++-
3618,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",---+++-+++-+
3619,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",---+++-+++--
3620,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",---+++-++-++
3621,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",---+++-++-+-
3622,1897.87130943518,1898.87913446738,949.943479749792,"[('C', 13), ('N', 15)]",---+++-++--+
3623,1893.86421003551,1894.87203506771,947.939930049957,"[('C', 13), ('N', 15)]",---+++-++---
3624,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",---+++-+-+++
3625,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",---+++-+-++-
3626,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",---+++-+-+-+
3627,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",---+++-+-+--
3628,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",---+++-+--++
3629,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",---+++-+--+-
3630,1893.86421003551,1894.87203506771,947.939930049957,"[('C', 13), ('N', 15)]",---+++-+---+
3631,1889.85711063584,1890.86493566804,945.936380350121,"[('C', 13), ('N', 15)]",---+++-+----
3632,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",---+++--++++
3633,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",---+++--+++-
3634,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",---+++--++-+
3635,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",---+++--++--
3636,1900.8813739404,1901.8891989726,951.4485120024,"[('C', 13), ('N', 15)]",---+++--+-++
3637,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",---+++--+-+-
3638,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",---+++--+--+
3639,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",---+++--+---
3640,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",---+++---+++
3641,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",---+++---++-
3642,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",---+++---+-+
3643,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",---+++---+--
3644,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",---+++----++
3645,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",---+++----+-
3646,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",---+++-----+
3647,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",---+++------
3648,1923.93957532521,1924.94740035741,962.977612694805,"[('C', 13), ('N', 15)]",---++-++++++
3649,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",---++-+++++-
3650,1914.91570175018,1915.92352678238,958.465675907289,"[('C', 13), ('N', 15)]",---++-++++-+
3651,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",---++-++++--
3652,1911.90563724496,1912.91346227716,956.96064365468,"[('C', 13), ('N', 15)]",---++-+++-++
3653,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",---++-+++-+-
3654,1902.88176366993,1903.88958870213,952.448706867164,"[('C', 13), ('N', 15)]",---++-+++--+
3655,1898.87466427026,1899.88248930246,950.445157167328,"[('C', 13), ('N', 15)]",---++-+++---
3656,1919.93247592554,1920.94030095774,960.974062994969,"[('C', 13), ('N', 15)]",---++-++-+++
3657,1915.92537652587,1916.93320155807,958.970513295134,"[('C', 13), ('N', 15)]",---++-++-++-
3658,1910.90860235051,1911.91642738271,956.462126207453,"[('C', 13), ('N', 15)]",---++-++-+-+
3659,1906.90150295083,1907.90932798304,954.458576507617,"[('C', 13), ('N', 15)]",---++-++-+--
3660,1907.89853784529,1908.90636287749,954.957093954845,"[('C', 13), ('N', 15)]",---++-++--++
3661,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",---++-++--+-
3662,1898.87466427026,1899.88248930246,950.445157167328,"[('C', 13), ('N', 15)]",---++-++---+
3663,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",---++-++----
3664,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",---++-+-++++
3665,1913.91866685572,1914.92649188792,957.967158460061,"[('C', 13), ('N', 15)]",---++-+-+++-
3666,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",---++-+-++-+
3667,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",---++-+-++--
3668,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",---++-+-+-++
3669,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",---++-+-+-+-
3670,1896.86795460011,1897.87577963231,949.441802332256,"[('C', 13), ('N', 15)]",---++-+-+--+
3671,1892.86085520044,1893.86868023264,947.43825263242,"[('C', 13), ('N', 15)]",---++-+-+---
3672,1913.91866685572,1914.92649188792,957.967158460061,"[('C', 13), ('N', 15)]",---++-+--+++
3673,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",---++-+--++-
3674,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",---++-+--+-+
3675,1900.88769388102,1901.89551891322,951.451671972709,"[('C', 13), ('N', 15)]",---++-+--+--
3676,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",---++-+---++
3677,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",---++-+---+-
3678,1892.86085520044,1893.86868023264,947.43825263242,"[('C', 13), ('N', 15)]",---++-+----+
3679,1888.85375580077,1889.86158083297,945.434702932585,"[('C', 13), ('N', 15)]",---++-+-----
3680,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",---++--+++++
3681,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",---++--++++-
3682,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",---++--+++-+
3683,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",---++--+++--
3684,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",---++--++-++
3685,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",---++--++-+-
3686,1893.86421003551,1894.87203506771,947.939930049957,"[('C', 13), ('N', 15)]",---++--++--+
3687,1889.85711063584,1890.86493566804,945.936380350121,"[('C', 13), ('N', 15)]",---++--++---
3688,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",---++--+-+++
3689,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",---++--+-++-
3690,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",---++--+-+-+
3691,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",---++--+-+--
3692,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",---++--+--++
3693,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",---++--+--+-
3694,1889.85711063584,1890.86493566804,945.936380350121,"[('C', 13), ('N', 15)]",---++--+---+
3695,1885.85001123617,1886.85783626837,943.932830650285,"[('C', 13), ('N', 15)]",---++--+----
3696,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",---++---++++
3697,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",---++---+++-
3698,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",---++---++-+
3699,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",---++---++--
3700,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",---++---+-++
3701,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",---++---+-+-
3702,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",---++---+--+
3703,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",---++---+---
3704,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",---++----+++
3705,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",---++----++-
3706,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",---++----+-+
3707,1891.8701402466,1892.8779652788,946.942895155502,"[('C', 13), ('N', 15)]",---++----+--
3708,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",---++-----++
3709,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",---++-----+-
3710,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",---++------+
3711,1879.83620216635,1880.84402719855,940.925926115377,"[('C', 13), ('N', 15)]",---++-------
3712,1918.92912109047,1919.93694612267,960.472385577433,"[('C', 13), ('N', 15)]",---+-+++++++
3713,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",---+-++++++-
3714,1909.90524751543,1910.91307254763,955.960448789917,"[('C', 13), ('N', 15)]",---+-+++++-+
3715,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",---+-+++++--
3716,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",---+-++++-++
3717,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",---+-++++-+-
3718,1897.87130943518,1898.87913446738,949.943479749792,"[('C', 13), ('N', 15)]",---+-++++--+
3719,1893.86421003551,1894.87203506771,947.939930049957,"[('C', 13), ('N', 15)]",---+-++++---
3720,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",---+-+++-+++
3721,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",---+-+++-++-
3722,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",---+-+++-+-+
3723,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",---+-+++-+--
3724,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",---+-+++--++
3725,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",---+-+++--+-
3726,1893.86421003551,1894.87203506771,947.939930049957,"[('C', 13), ('N', 15)]",---+-+++---+
3727,1889.85711063584,1890.86493566804,945.936380350121,"[('C', 13), ('N', 15)]",---+-+++----
3728,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",---+-++-++++
3729,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",---+-++-+++-
3730,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",---+-++-++-+
3731,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",---+-++-++--
3732,1900.8813739404,1901.8891989726,951.4485120024,"[('C', 13), ('N', 15)]",---+-++-+-++
3733,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",---+-++-+-+-
3734,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",---+-++-+--+
3735,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",---+-++-+---
3736,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",---+-++--+++
3737,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",---+-++--++-
3738,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",---+-++--+-+
3739,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",---+-++--+--
3740,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",---+-++---++
3741,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",---+-++---+-
3742,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",---+-++----+
3743,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",---+-++-----
3744,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",---+-+-+++++
3745,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",---+-+-++++-
3746,1900.88769388102,1901.89551891322,951.45167197271,"[('C', 13), ('N', 15)]",---+-+-+++-+
3747,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",---+-+-+++--
3748,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",---+-+-++-++
3749,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",---+-+-++-+-
3750,1888.85375580077,1889.86158083297,945.434702932585,"[('C', 13), ('N', 15)]",---+-+-++--+
3751,1884.8466564011,1885.8544814333,943.431153232749,"[('C', 13), ('N', 15)]",---+-+-++---
3752,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",---+-+-+-+++
3753,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",---+-+-+-++-
3754,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",---+-+-+-+-+
3755,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",---+-+-+-+--
3756,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",---+-+-+--++
3757,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",---+-+-+--+-
3758,1884.8466564011,1885.8544814333,943.431153232749,"[('C', 13), ('N', 15)]",---+-+-+---+
3759,1880.83955700143,1881.84738203363,941.427603532913,"[('C', 13), ('N', 15)]",---+-+-+----
3760,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",---+-+--++++
3761,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",---+-+--+++-
3762,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",---+-+--++-+
3763,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",---+-+--++--
3764,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",---+-+--+-++
3765,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",---+-+--+-+-
3766,1882.83994673095,1883.84777176315,942.427798397677,"[('C', 13), ('N', 15)]",---+-+--+--+
3767,1878.83284733128,1879.84067236348,940.424248697841,"[('C', 13), ('N', 15)]",---+-+--+---
3768,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",---+-+---+++
3769,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",---+-+---++-
3770,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",---+-+---+-+
3771,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",---+-+---+--
3772,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",---+-+----++
3773,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",---+-+----+-
3774,1878.83284733128,1879.84067236348,940.424248697841,"[('C', 13), ('N', 15)]",---+-+-----+
3775,1874.82574793161,1875.83357296381,938.420698998005,"[('C', 13), ('N', 15)]",---+-+------
3776,1914.9220216908,1915.929846723,958.468835877598,"[('C', 13), ('N', 15)]",---+--++++++
3777,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",---+--+++++-
3778,1905.89814811576,1906.90597314796,953.956899090081,"[('C', 13), ('N', 15)]",---+--++++-+
3779,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",---+--++++--
3780,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",---+--+++-++
3781,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",---+--+++-+-
3782,1893.86421003551,1894.87203506771,947.939930049957,"[('C', 13), ('N', 15)]",---+--+++--+
3783,1889.85711063584,1890.86493566804,945.936380350121,"[('C', 13), ('N', 15)]",---+--+++---
3784,1910.91492229112,1911.92274732332,956.465286177762,"[('C', 13), ('N', 15)]",---+--++-+++
3785,1906.90782289145,1907.91564792365,954.461736477927,"[('C', 13), ('N', 15)]",---+--++-++-
3786,1901.89104871609,1902.89887374829,951.953349390246,"[('C', 13), ('N', 15)]",---+--++-+-+
3787,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",---+--++-+--
3788,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",---+--++--++
3789,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",---+--++--+-
3790,1889.85711063584,1890.86493566804,945.936380350121,"[('C', 13), ('N', 15)]",---+--++---+
3791,1885.85001123617,1886.85783626837,943.932830650285,"[('C', 13), ('N', 15)]",---+--++----
3792,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",---+--+-++++
3793,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",---+--+-+++-
3794,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",---+--+-++-+
3795,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",---+--+-++--
3796,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",---+--+-+-++
3797,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",---+--+-+-+-
3798,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",---+--+-+--+
3799,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",---+--+-+---
3800,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",---+--+--+++
3801,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",---+--+--++-
3802,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",---+--+--+-+
3803,1891.8701402466,1892.8779652788,946.942895155502,"[('C', 13), ('N', 15)]",---+--+--+--
3804,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",---+--+---++
3805,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",---+--+---+-
3806,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",---+--+----+
3807,1879.83620216635,1880.84402719855,940.925926115377,"[('C', 13), ('N', 15)]",---+--+-----
3808,1905.90446805638,1906.91229308858,953.96005906039,"[('C', 13), ('N', 15)]",---+---+++++
3809,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",---+---++++-
3810,1896.88059448135,1897.88841951355,949.448122272874,"[('C', 13), ('N', 15)]",---+---+++-+
3811,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",---+---+++--
3812,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",---+---++-++
3813,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",---+---++-+-
3814,1884.8466564011,1885.8544814333,943.431153232749,"[('C', 13), ('N', 15)]",---+---++--+
3815,1880.83955700143,1881.84738203363,941.427603532913,"[('C', 13), ('N', 15)]",---+---++---
3816,1901.89736865671,1902.90519368891,951.956509360555,"[('C', 13), ('N', 15)]",---+---+-+++
3817,1897.89026925704,1898.89809428924,949.952959660719,"[('C', 13), ('N', 15)]",---+---+-++-
3818,1892.87349508168,1893.88132011388,947.444572573038,"[('C', 13), ('N', 15)]",---+---+-+-+
3819,1888.86639568201,1889.87422071421,945.441022873203,"[('C', 13), ('N', 15)]",---+---+-+--
3820,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",---+---+--++
3821,1885.85633117679,1886.86415620899,943.935990620594,"[('C', 13), ('N', 15)]",---+---+--+-
3822,1880.83955700143,1881.84738203363,941.427603532913,"[('C', 13), ('N', 15)]",---+---+---+
3823,1876.83245760176,1877.84028263396,939.424053833078,"[('C', 13), ('N', 15)]",---+---+----
3824,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",---+----++++
3825,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",---+----+++-
3826,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",---+----++-+
3827,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",---+----++--
3828,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",---+----+-++
3829,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",---+----+-+-
3830,1878.83284733128,1879.84067236348,940.424248697841,"[('C', 13), ('N', 15)]",---+----+--+
3831,1874.82574793161,1875.83357296381,938.420698998005,"[('C', 13), ('N', 15)]",---+----+---
3832,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",---+-----+++
3833,1891.87646018722,1892.88428521942,946.946055125811,"[('C', 13), ('N', 15)]",---+-----++-
3834,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",---+-----+-+
3835,1882.85258661219,1883.86041164439,942.434118338295,"[('C', 13), ('N', 15)]",---+-----+--
3836,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",---+------++
3837,1879.84252210697,1880.85034713917,940.929086085686,"[('C', 13), ('N', 15)]",---+------+-
3838,1874.82574793161,1875.83357296381,938.420698998005,"[('C', 13), ('N', 15)]",---+-------+
3839,1870.81864853194,1871.82647356414,936.41714929817,"[('C', 13), ('N', 15)]",---+--------
3840,1921.93286565507,1922.94069068727,961.974257859733,"[('C', 13), ('N', 15)]",----++++++++
3841,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",----+++++++-
3842,1912.90899208003,1913.91681711223,957.462321072216,"[('C', 13), ('N', 15)]",----++++++-+
3843,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",----++++++--
3844,1909.89892757482,1910.90675260702,955.957288819608,"[('C', 13), ('N', 15)]",----+++++-++
3845,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",----+++++-+-
3846,1900.87505399978,1901.88287903198,951.445352032092,"[('C', 13), ('N', 15)]",----+++++--+
3847,1896.86795460011,1897.87577963231,949.441802332256,"[('C', 13), ('N', 15)]",----+++++---
3848,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",----++++-+++
3849,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",----++++-++-
3850,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",----++++-+-+
3851,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",----++++-+--
3852,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",----++++--++
3853,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",----++++--+-
3854,1896.86795460011,1897.87577963231,949.441802332256,"[('C', 13), ('N', 15)]",----++++---+
3855,1892.86085520044,1893.86868023264,947.43825263242,"[('C', 13), ('N', 15)]",----++++----
3856,1915.91905658525,1916.92688161745,958.967353324825,"[('C', 13), ('N', 15)]",----+++-++++
3857,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",----+++-+++-
3858,1906.89518301022,1907.90300804242,954.455416537308,"[('C', 13), ('N', 15)]",----+++-++-+
3859,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",----+++-++--
3860,1903.885118505,1904.8929435372,952.9503842847,"[('C', 13), ('N', 15)]",----+++-+-++
3861,1899.87801910533,1900.88584413753,950.946834584864,"[('C', 13), ('N', 15)]",----+++-+-+-
3862,1894.86124492997,1895.86906996217,948.438447497184,"[('C', 13), ('N', 15)]",----+++-+--+
3863,1890.8541455303,1891.8619705625,946.434897797348,"[('C', 13), ('N', 15)]",----+++-+---
3864,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",----+++--+++
3865,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",----+++--++-
3866,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",----+++--+-+
3867,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",----+++--+--
3868,1899.87801910533,1900.88584413753,950.946834584864,"[('C', 13), ('N', 15)]",----+++---++
3869,1895.87091970566,1896.87874473786,948.943284885029,"[('C', 13), ('N', 15)]",----+++---+-
3870,1890.8541455303,1891.8619705625,946.434897797348,"[('C', 13), ('N', 15)]",----+++----+
3871,1886.84704613062,1887.85487116282,944.431348097512,"[('C', 13), ('N', 15)]",----+++-----
3872,1912.91531202065,1913.92313705285,957.465481042526,"[('C', 13), ('N', 15)]",----++-+++++
3873,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",----++-++++-
3874,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",----++-+++-+
3875,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",----++-+++--
3876,1900.8813739404,1901.8891989726,951.448512002401,"[('C', 13), ('N', 15)]",----++-++-++
3877,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",----++-++-+-
3878,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",----++-++--+
3879,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",----++-++---
3880,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",----++-+-+++
3881,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",----++-+-++-
3882,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",----++-+-+-+
3883,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",----++-+-+--
3884,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",----++-+--++
3885,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",----++-+--+-
3886,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",----++-+---+
3887,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",----++-+----
3888,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",----++--++++
3889,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",----++--+++-
3890,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",----++--++-+
3891,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",----++--++--
3892,1894.86756487059,1895.87538990279,948.441607467493,"[('C', 13), ('N', 15)]",----++--+-++
3893,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",----++--+-+-
3894,1885.84369129555,1886.85151632775,943.929670679976,"[('C', 13), ('N', 15)]",----++--+--+
3895,1881.83659189588,1882.84441692808,941.926120980141,"[('C', 13), ('N', 15)]",----++--+---
3896,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",----++---+++
3897,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",----++---++-
3898,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",----++---+-+
3899,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",----++---+--
3900,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",----++----++
3901,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",----++----+-
3902,1881.83659189588,1882.84441692808,941.926120980141,"[('C', 13), ('N', 15)]",----++-----+
3903,1877.82949249621,1878.83731752841,939.922571280305,"[('C', 13), ('N', 15)]",----++------
3904,1917.92576625539,1918.93359128759,959.970708159897,"[('C', 13), ('N', 15)]",----+-++++++
3905,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",----+-+++++-
3906,1908.90189268036,1909.90971771256,955.458771372381,"[('C', 13), ('N', 15)]",----+-++++-+
3907,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",----+-++++--
3908,1905.89182817514,1906.89965320734,953.953739119772,"[('C', 13), ('N', 15)]",----+-+++-++
3909,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",----+-+++-+-
3910,1896.86795460011,1897.87577963231,949.441802332256,"[('C', 13), ('N', 15)]",----+-+++--+
3911,1892.86085520044,1893.86868023264,947.43825263242,"[('C', 13), ('N', 15)]",----+-+++---
3912,1913.91866685572,1914.92649188792,957.967158460062,"[('C', 13), ('N', 15)]",----+-++-+++
3913,1909.91156745605,1910.91939248825,955.963608760226,"[('C', 13), ('N', 15)]",----+-++-++-
3914,1904.89479328069,1905.90261831289,953.455221672545,"[('C', 13), ('N', 15)]",----+-++-+-+
3915,1900.88769388102,1901.89551891322,951.45167197271,"[('C', 13), ('N', 15)]",----+-++-+--
3916,1901.88472877547,1902.89255380767,951.950189419937,"[('C', 13), ('N', 15)]",----+-++--++
3917,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",----+-++--+-
3918,1892.86085520044,1893.86868023264,947.43825263242,"[('C', 13), ('N', 15)]",----+-++---+
3919,1888.85375580077,1889.86158083297,945.434702932585,"[('C', 13), ('N', 15)]",----+-++----
3920,1911.91195718558,1912.91978221778,956.963803624989,"[('C', 13), ('N', 15)]",----+-+-++++
3921,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",----+-+-+++-
3922,1902.88808361055,1903.89590864275,952.451866837473,"[('C', 13), ('N', 15)]",----+-+-++-+
3923,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",----+-+-++--
3924,1899.87801910533,1900.88584413753,950.946834584864,"[('C', 13), ('N', 15)]",----+-+-+-++
3925,1895.87091970566,1896.87874473786,948.943284885029,"[('C', 13), ('N', 15)]",----+-+-+-+-
3926,1890.8541455303,1891.8619705625,946.434897797348,"[('C', 13), ('N', 15)]",----+-+-+--+
3927,1886.84704613062,1887.85487116282,944.431348097512,"[('C', 13), ('N', 15)]",----+-+-+---
3928,1907.90485778591,1908.91268281811,954.960253925154,"[('C', 13), ('N', 15)]",----+-+--+++
3929,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",----+-+--++-
3930,1898.88098421087,1899.88880924307,950.448317137637,"[('C', 13), ('N', 15)]",----+-+--+-+
3931,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",----+-+--+--
3932,1895.87091970566,1896.87874473786,948.943284885029,"[('C', 13), ('N', 15)]",----+-+---++
3933,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",----+-+---+-
3934,1886.84704613062,1887.85487116282,944.431348097512,"[('C', 13), ('N', 15)]",----+-+----+
3935,1882.83994673095,1883.84777176315,942.427798397677,"[('C', 13), ('N', 15)]",----+-+-----
3936,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",----+--+++++
3937,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",----+--++++-
3938,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",----+--+++-+
3939,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",----+--+++--
3940,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",----+--++-++
3941,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",----+--++-+-
3942,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",----+--++--+
3943,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",----+--++---
3944,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",----+--+-+++
3945,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",----+--+-++-
3946,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",----+--+-+-+
3947,1891.8701402466,1892.8779652788,946.942895155502,"[('C', 13), ('N', 15)]",----+--+-+--
3948,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",----+--+--++
3949,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",----+--+--+-
3950,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",----+--+---+
3951,1879.83620216635,1880.84402719855,940.925926115377,"[('C', 13), ('N', 15)]",----+--+----
3952,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",----+---++++
3953,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",----+---+++-
3954,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",----+---++-+
3955,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",----+---++--
3956,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",----+---+-++
3957,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",----+---+-+-
3958,1881.83659189588,1882.84441692808,941.926120980141,"[('C', 13), ('N', 15)]",----+---+--+
3959,1877.82949249621,1878.83731752841,939.922571280305,"[('C', 13), ('N', 15)]",----+---+---
3960,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",----+----+++
3961,1894.88020475182,1895.88802978402,948.447927408111,"[('C', 13), ('N', 15)]",----+----++-
3962,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",----+----+-+
3963,1885.85633117679,1886.86415620899,943.935990620594,"[('C', 13), ('N', 15)]",----+----+--
3964,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",----+-----++
3965,1882.84626667157,1883.85409170377,942.430958367986,"[('C', 13), ('N', 15)]",----+-----+-
3966,1877.82949249621,1878.83731752841,939.922571280305,"[('C', 13), ('N', 15)]",----+------+
3967,1873.82239309654,1874.83021812874,937.919021580469,"[('C', 13), ('N', 15)]",----+-------
3968,1912.91531202065,1913.92313705285,957.465481042525,"[('C', 13), ('N', 15)]",-----+++++++
3969,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-----++++++-
3970,1903.89143844562,1904.89926347782,952.953544255009,"[('C', 13), ('N', 15)]",-----+++++-+
3971,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-----+++++--
3972,1900.8813739404,1901.8891989726,951.4485120024,"[('C', 13), ('N', 15)]",-----++++-++
3973,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",-----++++-+-
3974,1891.85750036537,1892.86532539757,946.936575214884,"[('C', 13), ('N', 15)]",-----++++--+
3975,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",-----++++---
3976,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",-----+++-+++
3977,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",-----+++-++-
3978,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",-----+++-+-+
3979,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",-----+++-+--
3980,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",-----+++--++
3981,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",-----+++--+-
3982,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",-----+++---+
3983,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",-----+++----
3984,1906.90150295083,1907.90932798303,954.458576507617,"[('C', 13), ('N', 15)]",-----++-++++
3985,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-----++-+++-
3986,1897.8776293758,1898.885454408,949.946639720101,"[('C', 13), ('N', 15)]",-----++-++-+
3987,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-----++-++--
3988,1894.86756487058,1895.87538990278,948.441607467492,"[('C', 13), ('N', 15)]",-----++-+-++
3989,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",-----++-+-+-
3990,1885.84369129555,1886.85151632775,943.929670679976,"[('C', 13), ('N', 15)]",-----++-+--+
3991,1881.83659189588,1882.84441692808,941.926120980141,"[('C', 13), ('N', 15)]",-----++-+---
3992,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",-----++--+++
3993,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",-----++--++-
3994,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",-----++--+-+
3995,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",-----++--+--
3996,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",-----++---++
3997,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",-----++---+-
3998,1881.83659189588,1882.84441692808,941.926120980141,"[('C', 13), ('N', 15)]",-----++----+
3999,1877.82949249621,1878.83731752841,939.922571280305,"[('C', 13), ('N', 15)]",-----++-----
4000,1903.89775838624,1904.90558341844,952.956704225318,"[('C', 13), ('N', 15)]",-----+-+++++
4001,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-----+-++++-
4002,1894.8738848112,1895.8817098434,948.444767437802,"[('C', 13), ('N', 15)]",-----+-+++-+
4003,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-----+-+++--
4004,1891.86382030599,1892.87164533819,946.939735185193,"[('C', 13), ('N', 15)]",-----+-++-++
4005,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",-----+-++-+-
4006,1882.83994673095,1883.84777176315,942.427798397677,"[('C', 13), ('N', 15)]",-----+-++--+
4007,1878.83284733128,1879.84067236348,940.424248697841,"[('C', 13), ('N', 15)]",-----+-++---
4008,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-----+-+-+++
4009,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",-----+-+-++-
4010,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-----+-+-+-+
4011,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",-----+-+-+--
4012,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",-----+-+--++
4013,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",-----+-+--+-
4014,1878.83284733128,1879.84067236348,940.424248697841,"[('C', 13), ('N', 15)]",-----+-+---+
4015,1874.82574793161,1875.83357296381,938.420698998005,"[('C', 13), ('N', 15)]",-----+-+----
4016,1897.88394931642,1898.89177434862,949.94979969041,"[('C', 13), ('N', 15)]",-----+--++++
4017,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",-----+--+++-
4018,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",-----+--++-+
4019,1884.85297634172,1885.86080137392,943.434313203058,"[('C', 13), ('N', 15)]",-----+--++--
4020,1885.85001123617,1886.85783626837,943.932830650285,"[('C', 13), ('N', 15)]",-----+--+-++
4021,1881.8429118365,1882.8507368687,941.929280950449,"[('C', 13), ('N', 15)]",-----+--+-+-
4022,1876.82613766114,1877.83396269334,939.420893862769,"[('C', 13), ('N', 15)]",-----+--+--+
4023,1872.81903826147,1873.82686329367,937.417344162933,"[('C', 13), ('N', 15)]",-----+--+---
4024,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",-----+---+++
4025,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",-----+---++-
4026,1884.85297634172,1885.86080137392,943.434313203058,"[('C', 13), ('N', 15)]",-----+---+-+
4027,1880.84587694204,1881.85370197424,941.430763503222,"[('C', 13), ('N', 15)]",-----+---+--
4028,1881.8429118365,1882.8507368687,941.929280950449,"[('C', 13), ('N', 15)]",-----+----++
4029,1877.83581243683,1878.84363746903,939.925731250614,"[('C', 13), ('N', 15)]",-----+----+-
4030,1872.81903826147,1873.82686329367,937.417344162933,"[('C', 13), ('N', 15)]",-----+-----+
4031,1868.8119388618,1869.81976389399,935.413794463097,"[('C', 13), ('N', 15)]",-----+------
4032,1908.90821262098,1909.91603765318,955.46193134269,"[('C', 13), ('N', 15)]",------++++++
4033,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",------+++++-
4034,1899.88433904595,1900.89216407815,950.949994555173,"[('C', 13), ('N', 15)]",------++++-+
4035,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",------++++--
4036,1896.87427454073,1897.88209957293,949.444962302565,"[('C', 13), ('N', 15)]",------+++-++
4037,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",------+++-+-
4038,1887.8504009657,1888.8582259979,944.933025515049,"[('C', 13), ('N', 15)]",------+++--+
4039,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",------+++---
4040,1904.90111322131,1905.90893825351,953.458381642854,"[('C', 13), ('N', 15)]",------++-+++
4041,1900.89401382164,1901.90183885384,951.454831943019,"[('C', 13), ('N', 15)]",------++-++-
4042,1895.87723964628,1896.88506467848,948.946444855338,"[('C', 13), ('N', 15)]",------++-+-+
4043,1891.8701402466,1892.8779652788,946.942895155502,"[('C', 13), ('N', 15)]",------++-+--
4044,1892.86717514106,1893.87500017326,947.441412602729,"[('C', 13), ('N', 15)]",------++--++
4045,1888.86007574139,1889.86790077359,945.437862902894,"[('C', 13), ('N', 15)]",------++--+-
4046,1883.84330156603,1884.85112659823,942.929475815213,"[('C', 13), ('N', 15)]",------++---+
4047,1879.83620216635,1880.84402719855,940.925926115377,"[('C', 13), ('N', 15)]",------++----
4048,1902.89440355116,1903.90222858336,952.455026807782,"[('C', 13), ('N', 15)]",------+-++++
4049,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",------+-+++-
4050,1893.87052997613,1894.87835500833,947.943090020265,"[('C', 13), ('N', 15)]",------+-++-+
4051,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",------+-++--
4052,1890.86046547091,1891.86829050311,946.438057767657,"[('C', 13), ('N', 15)]",------+-+-++
4053,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",------+-+-+-
4054,1881.83659189588,1882.84441692808,941.926120980141,"[('C', 13), ('N', 15)]",------+-+--+
4055,1877.82949249621,1878.83731752841,939.922571280305,"[('C', 13), ('N', 15)]",------+-+---
4056,1898.88730415149,1899.89512918369,950.451477107946,"[('C', 13), ('N', 15)]",------+--+++
4057,1894.88020475182,1895.88802978402,948.447927408111,"[('C', 13), ('N', 15)]",------+--++-
4058,1889.86343057646,1890.87125560866,945.93954032043,"[('C', 13), ('N', 15)]",------+--+-+
4059,1885.85633117679,1886.86415620899,943.935990620594,"[('C', 13), ('N', 15)]",------+--+--
4060,1886.85336607124,1887.86119110344,944.434508067821,"[('C', 13), ('N', 15)]",------+---++
4061,1882.84626667157,1883.85409170377,942.430958367986,"[('C', 13), ('N', 15)]",------+---+-
4062,1877.82949249621,1878.83731752841,939.922571280305,"[('C', 13), ('N', 15)]",------+----+
4063,1873.82239309654,1874.83021812874,937.919021580469,"[('C', 13), ('N', 15)]",------+-----
4064,1899.89065898656,1900.89848401876,950.953154525482,"[('C', 13), ('N', 15)]",-------+++++
4065,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",-------++++-
4066,1890.86678541153,1891.87461044373,946.441217737966,"[('C', 13), ('N', 15)]",-------+++-+
4067,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",-------+++--
4068,1887.85672090631,1888.86454593851,944.936185485357,"[('C', 13), ('N', 15)]",-------++-++
4069,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",-------++-+-
4070,1878.83284733128,1879.84067236348,940.424248697841,"[('C', 13), ('N', 15)]",-------++--+
4071,1874.82574793161,1875.83357296381,938.420698998005,"[('C', 13), ('N', 15)]",-------++---
4072,1895.88355958689,1896.89138461909,948.949604825647,"[('C', 13), ('N', 15)]",-------+-+++
4073,1891.87646018722,1892.88428521942,946.946055125811,"[('C', 13), ('N', 15)]",-------+-++-
4074,1886.85968601186,1887.86751104406,944.43766803813,"[('C', 13), ('N', 15)]",-------+-+-+
4075,1882.85258661219,1883.86041164439,942.434118338295,"[('C', 13), ('N', 15)]",-------+-+--
4076,1883.84962150664,1884.85744653884,942.932635785522,"[('C', 13), ('N', 15)]",-------+--++
4077,1879.84252210697,1880.85034713917,940.929086085686,"[('C', 13), ('N', 15)]",-------+--+-
4078,1874.82574793161,1875.83357296381,938.420698998005,"[('C', 13), ('N', 15)]",-------+---+
4079,1870.81864853194,1871.82647356414,936.41714929817,"[('C', 13), ('N', 15)]",-------+----
4080,1893.87684991675,1894.88467494895,947.946249990574,"[('C', 13), ('N', 15)]",--------++++
4081,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",--------+++-
4082,1884.85297634172,1885.86080137392,943.434313203058,"[('C', 13), ('N', 15)]",--------++-+
4083,1880.84587694204,1881.85370197424,941.430763503222,"[('C', 13), ('N', 15)]",--------++--
4084,1881.8429118365,1882.8507368687,941.929280950449,"[('C', 13), ('N', 15)]",--------+-++
4085,1877.83581243683,1878.84363746903,939.925731250614,"[('C', 13), ('N', 15)]",--------+-+-
4086,1872.81903826147,1873.82686329367,937.417344162933,"[('C', 13), ('N', 15)]",--------+--+
4087,1868.81193886179,1869.81976389399,935.413794463097,"[('C', 13), ('N', 15)]",--------+---
4088,1889.86975051708,1890.87757554928,945.942700290739,"[('C', 13), ('N', 15)]",---------+++
4089,1885.86265111741,1886.87047614961,943.939150590903,"[('C', 13), ('N', 15)]",---------++-
4090,1880.84587694204,1881.85370197424,941.430763503222,"[('C', 13), ('N', 15)]",---------+-+
4091,1876.83877754237,1877.84660257457,939.427213803387,"[('C', 13), ('N', 15)]",---------+--
4092,1877.83581243683,1878.84363746903,939.925731250614,"[('C', 13), ('N', 15)]",----------++
4093,1873.82871303716,1874.83653806936,937.922181550778,"[('C', 13), ('N', 15)]",----------+-
4094,1868.81193886179,1869.81976389399,935.413794463097,"[('C', 13), ('N', 15)]",-----------+
4095,1864.80483946212,1865.81266449432,933.410244763262,"[('C', 13), ('N', 15)]",------------
Computing file changes ...
