monoisotopic_mass,M_H,M_2H,labeling,labeling_pattern
870.370588287888,871.378413320088,436.193119176144,"[('C', 12), ('N', 14)]",++++++++
910.4668620470725,911.4746870792725,456.24125605573624,"[('C', 13), ('N', 15)]",++++++++
901.4493084126576,902.4571334448576,451.7324792385288,"[('C', 13), ('N', 15)]",+++++++-
904.4530529772567,905.4608780094567,453.23435152082834,"[('C', 13), ('N', 15)]",++++++-+
895.4354993428418,896.4433243750418,448.7255747036209,"[('C', 13), ('N', 15)]",++++++--
906.4597626474012,907.4675876796013,454.2377063559006,"[('C', 13), ('N', 15)]",+++++-++
897.4422090129864,898.4500340451864,449.7289295386932,"[('C', 13), ('N', 15)]",+++++-+-
900.4459535775853,901.4537786097853,451.23080182099267,"[('C', 13), ('N', 15)]",+++++--+
891.4283999431705,892.4362249753705,446.72202500378523,"[('C', 13), ('N', 15)]",+++++---
907.4567975418556,908.4646225740556,454.7362238031278,"[('C', 13), ('N', 15)]",++++-+++
898.4392439074408,899.4470689396408,450.2274469859204,"[('C', 13), ('N', 15)]",++++-++-
901.4429884720398,902.4508135042398,451.7293192682199,"[('C', 13), ('N', 15)]",++++-+-+
892.425434837625,893.433259869825,447.2205424510125,"[('C', 13), ('N', 15)]",++++-+--
903.4496981421844,904.4575231743844,452.7326741032922,"[('C', 13), ('N', 15)]",++++--++
894.4321445077695,895.4399695399695,448.22389728608476,"[('C', 13), ('N', 15)]",++++--+-
897.4358890723685,898.4437141045685,449.72576956838424,"[('C', 13), ('N', 15)]",++++---+
888.4183354379536,889.4261604701536,445.2169927511768,"[('C', 13), ('N', 15)]",++++----
908.4601523769279,909.4679774091279,455.23790122066396,"[('C', 13), ('N', 15)]",+++-++++
899.442598742513,900.450423774713,450.7291244034565,"[('C', 13), ('N', 15)]",+++-+++-
902.4463433071121,903.4541683393121,452.23099668575605,"[('C', 13), ('N', 15)]",+++-++-+
893.4287896726972,894.4366147048972,447.7222198685486,"[('C', 13), ('N', 15)]",+++-++--
904.4530529772567,905.4608780094567,453.23435152082834,"[('C', 13), ('N', 15)]",+++-+-++
895.4354993428418,896.4433243750418,448.7255747036209,"[('C', 13), ('N', 15)]",+++-+-+-
898.4392439074408,899.4470689396408,450.2274469859204,"[('C', 13), ('N', 15)]",+++-+--+
889.4216902730259,890.4295153052259,445.71867016871295,"[('C', 13), ('N', 15)]",+++-+---
905.450087871711,906.457912903911,453.7328689680555,"[('C', 13), ('N', 15)]",+++--+++
896.4325342372962,897.4403592694962,449.2240921508481,"[('C', 13), ('N', 15)]",+++--++-
899.4362788018952,900.4441038340952,450.7259644331476,"[('C', 13), ('N', 15)]",+++--+-+
890.4187251674804,891.4265501996804,446.2171876159402,"[('C', 13), ('N', 15)]",+++--+--
901.4429884720398,902.4508135042398,451.7293192682199,"[('C', 13), ('N', 15)]",+++---++
892.425434837625,893.433259869825,447.2205424510125,"[('C', 13), ('N', 15)]",+++---+-
895.4291794022239,896.4370044344239,448.72241473331195,"[('C', 13), ('N', 15)]",+++----+
886.411625767809,887.419450800009,444.2136379161045,"[('C', 13), ('N', 15)]",+++-----
903.4496981421844,904.4575231743844,452.7326741032922,"[('C', 13), ('N', 15)]",++-+++++
894.4321445077695,895.4399695399695,448.22389728608476,"[('C', 13), ('N', 15)]",++-++++-
897.4358890723685,898.4437141045685,449.72576956838424,"[('C', 13), ('N', 15)]",++-+++-+
888.4183354379536,889.4261604701536,445.2169927511768,"[('C', 13), ('N', 15)]",++-+++--
899.4425987425132,900.4504237747132,450.7291244034566,"[('C', 13), ('N', 15)]",++-++-++
890.4250451080983,891.4328701402983,446.22034758624915,"[('C', 13), ('N', 15)]",++-++-+-
893.4287896726972,894.4366147048972,447.7222198685486,"[('C', 13), ('N', 15)]",++-++--+
884.4112360382824,885.4190610704824,443.2134430513412,"[('C', 13), ('N', 15)]",++-++---
900.4396336369675,901.4474586691675,451.22764185068377,"[('C', 13), ('N', 15)]",++-+-+++
891.4220800025527,892.4299050347527,446.71886503347633,"[('C', 13), ('N', 15)]",++-+-++-
894.4258245671516,895.4336495993516,448.2207373157758,"[('C', 13), ('N', 15)]",++-+-+-+
885.4082709327367,886.4160959649367,443.7119604985684,"[('C', 13), ('N', 15)]",++-+-+--
896.4325342372961,897.4403592694961,449.22409215084804,"[('C', 13), ('N', 15)]",++-+--++
887.4149806028812,888.4228056350812,444.7153153336406,"[('C', 13), ('N', 15)]",++-+--+-
890.4187251674803,891.4265501996803,446.21718761594013,"[('C', 13), ('N', 15)]",++-+---+
881.4011715330654,882.4089965652654,441.7084107987327,"[('C', 13), ('N', 15)]",++-+----
901.4429884720398,902.4508135042398,451.7293192682199,"[('C', 13), ('N', 15)]",++--++++
892.425434837625,893.433259869825,447.2205424510125,"[('C', 13), ('N', 15)]",++--+++-
895.4291794022239,896.4370044344239,448.72241473331195,"[('C', 13), ('N', 15)]",++--++-+
886.411625767809,887.419450800009,444.2136379161045,"[('C', 13), ('N', 15)]",++--++--
897.4358890723686,898.4437141045686,449.7257695683843,"[('C', 13), ('N', 15)]",++--+-++
888.4183354379537,889.4261604701537,445.21699275117686,"[('C', 13), ('N', 15)]",++--+-+-
891.4220800025527,892.4299050347527,446.71886503347633,"[('C', 13), ('N', 15)]",++--+--+
882.4045263681378,883.4123514003378,442.2100882162689,"[('C', 13), ('N', 15)]",++--+---
898.432923966823,899.440748999023,450.2242870156115,"[('C', 13), ('N', 15)]",++---+++
889.4153703324081,890.4231953646081,445.71551019840405,"[('C', 13), ('N', 15)]",++---++-
892.419114897007,893.426939929207,447.2173824807035,"[('C', 13), ('N', 15)]",++---+-+
883.4015612625922,884.4093862947922,442.7086056634961,"[('C', 13), ('N', 15)]",++---+--
894.4258245671515,895.4336495993515,448.22073731577575,"[('C', 13), ('N', 15)]",++----++
885.4082709327366,886.4160959649366,443.7119604985683,"[('C', 13), ('N', 15)]",++----+-
888.4120154973357,889.4198405295357,445.21383278086785,"[('C', 13), ('N', 15)]",++-----+
879.3944618629208,880.4022868951208,440.7050559636604,"[('C', 13), ('N', 15)]",++------
908.4601523769279,909.4679774091279,455.23790122066396,"[('C', 13), ('N', 15)]",+-++++++
899.442598742513,900.450423774713,450.7291244034565,"[('C', 13), ('N', 15)]",+-+++++-
902.4463433071121,903.4541683393121,452.23099668575605,"[('C', 13), ('N', 15)]",+-++++-+
893.4287896726972,894.4366147048972,447.7222198685486,"[('C', 13), ('N', 15)]",+-++++--
904.4530529772567,905.4608780094567,453.23435152082834,"[('C', 13), ('N', 15)]",+-+++-++
895.4354993428418,896.4433243750418,448.7255747036209,"[('C', 13), ('N', 15)]",+-+++-+-
898.4392439074408,899.4470689396408,450.2274469859204,"[('C', 13), ('N', 15)]",+-+++--+
889.4216902730259,890.4295153052259,445.71867016871295,"[('C', 13), ('N', 15)]",+-+++---
905.450087871711,906.457912903911,453.7328689680555,"[('C', 13), ('N', 15)]",+-++-+++
896.4325342372962,897.4403592694962,449.2240921508481,"[('C', 13), ('N', 15)]",+-++-++-
899.4362788018952,900.4441038340952,450.7259644331476,"[('C', 13), ('N', 15)]",+-++-+-+
890.4187251674804,891.4265501996804,446.2171876159402,"[('C', 13), ('N', 15)]",+-++-+--
901.4429884720398,902.4508135042398,451.7293192682199,"[('C', 13), ('N', 15)]",+-++--++
892.425434837625,893.433259869825,447.2205424510125,"[('C', 13), ('N', 15)]",+-++--+-
895.4291794022239,896.4370044344239,448.72241473331195,"[('C', 13), ('N', 15)]",+-++---+
886.411625767809,887.419450800009,444.2136379161045,"[('C', 13), ('N', 15)]",+-++----
906.4534427067833,907.4612677389833,454.23454638559167,"[('C', 13), ('N', 15)]",+-+-++++
897.4358890723685,898.4437141045685,449.72576956838424,"[('C', 13), ('N', 15)]",+-+-+++-
900.4396336369675,901.4474586691675,451.22764185068377,"[('C', 13), ('N', 15)]",+-+-++-+
891.4220800025527,892.4299050347527,446.71886503347633,"[('C', 13), ('N', 15)]",+-+-++--
902.4463433071121,903.4541683393121,452.23099668575605,"[('C', 13), ('N', 15)]",+-+-+-++
893.4287896726972,894.4366147048972,447.7222198685486,"[('C', 13), ('N', 15)]",+-+-+-+-
896.4325342372962,897.4403592694962,449.2240921508481,"[('C', 13), ('N', 15)]",+-+-+--+
887.4149806028813,888.4228056350813,444.71531533364066,"[('C', 13), ('N', 15)]",+-+-+---
903.4433782015665,904.4512032337665,452.72951413298324,"[('C', 13), ('N', 15)]",+-+--+++
894.4258245671516,895.4336495993516,448.2207373157758,"[('C', 13), ('N', 15)]",+-+--++-
897.4295691317507,898.4373941639507,449.72260959807534,"[('C', 13), ('N', 15)]",+-+--+-+
888.4120154973358,889.4198405295358,445.2138327808679,"[('C', 13), ('N', 15)]",+-+--+--
899.4362788018952,900.4441038340952,450.7259644331476,"[('C', 13), ('N', 15)]",+-+---++
890.4187251674804,891.4265501996804,446.2171876159402,"[('C', 13), ('N', 15)]",+-+---+-
893.4224697320793,894.4302947642793,447.71905989823966,"[('C', 13), ('N', 15)]",+-+----+
884.4049160976645,885.4127411298645,443.21028308103223,"[('C', 13), ('N', 15)]",+-+-----
901.4429884720398,902.4508135042398,451.7293192682199,"[('C', 13), ('N', 15)]",+--+++++
892.425434837625,893.433259869825,447.2205424510125,"[('C', 13), ('N', 15)]",+--++++-
895.4291794022239,896.4370044344239,448.72241473331195,"[('C', 13), ('N', 15)]",+--+++-+
886.411625767809,887.419450800009,444.2136379161045,"[('C', 13), ('N', 15)]",+--+++--
897.4358890723686,898.4437141045686,449.7257695683843,"[('C', 13), ('N', 15)]",+--++-++
888.4183354379537,889.4261604701537,445.21699275117686,"[('C', 13), ('N', 15)]",+--++-+-
891.4220800025527,892.4299050347527,446.71886503347633,"[('C', 13), ('N', 15)]",+--++--+
882.4045263681378,883.4123514003378,442.2100882162689,"[('C', 13), ('N', 15)]",+--++---
898.432923966823,899.440748999023,450.2242870156115,"[('C', 13), ('N', 15)]",+--+-+++
889.4153703324081,890.4231953646081,445.71551019840405,"[('C', 13), ('N', 15)]",+--+-++-
892.419114897007,893.426939929207,447.2173824807035,"[('C', 13), ('N', 15)]",+--+-+-+
883.4015612625922,884.4093862947922,442.7086056634961,"[('C', 13), ('N', 15)]",+--+-+--
894.4258245671515,895.4336495993515,448.22073731577575,"[('C', 13), ('N', 15)]",+--+--++
885.4082709327366,886.4160959649366,443.7119604985683,"[('C', 13), ('N', 15)]",+--+--+-
888.4120154973357,889.4198405295357,445.21383278086785,"[('C', 13), ('N', 15)]",+--+---+
879.3944618629208,880.4022868951208,440.7050559636604,"[('C', 13), ('N', 15)]",+--+----
899.4362788018952,900.4441038340952,450.7259644331476,"[('C', 13), ('N', 15)]",+---++++
890.4187251674804,891.4265501996804,446.2171876159402,"[('C', 13), ('N', 15)]",+---+++-
893.4224697320793,894.4302947642793,447.71905989823966,"[('C', 13), ('N', 15)]",+---++-+
884.4049160976645,885.4127411298645,443.21028308103223,"[('C', 13), ('N', 15)]",+---++--
895.429179402224,896.437004434424,448.722414733312,"[('C', 13), ('N', 15)]",+---+-++
886.4116257678091,887.4194508000091,444.2136379161046,"[('C', 13), ('N', 15)]",+---+-+-
889.4153703324081,890.4231953646081,445.71551019840405,"[('C', 13), ('N', 15)]",+---+--+
880.3978166979932,881.4056417301932,441.2067333811966,"[('C', 13), ('N', 15)]",+---+---
896.4262142966784,897.4340393288784,449.2209321805392,"[('C', 13), ('N', 15)]",+----+++
887.4086606622635,888.4164856944635,444.71215536333176,"[('C', 13), ('N', 15)]",+----++-
890.4124052268625,891.4202302590625,446.21402764563123,"[('C', 13), ('N', 15)]",+----+-+
881.3948515924476,882.4026766246476,441.7052508284238,"[('C', 13), ('N', 15)]",+----+--
892.4191148970069,893.4269399292069,447.21738248070346,"[('C', 13), ('N', 15)]",+-----++
883.401561262592,884.4093862947921,442.70860566349603,"[('C', 13), ('N', 15)]",+-----+-
886.4053058271911,887.4131308593911,444.21047794579556,"[('C', 13), ('N', 15)]",+------+
877.3877521927762,878.3955772249763,439.7017011285881,"[('C', 13), ('N', 15)]",+-------
903.4496981421844,904.4575231743844,452.7326741032922,"[('C', 13), ('N', 15)]",-+++++++
894.4321445077695,895.4399695399695,448.22389728608476,"[('C', 13), ('N', 15)]",-++++++-
897.4358890723685,898.4437141045685,449.72576956838424,"[('C', 13), ('N', 15)]",-+++++-+
888.4183354379536,889.4261604701536,445.2169927511768,"[('C', 13), ('N', 15)]",-+++++--
899.4425987425132,900.4504237747132,450.7291244034566,"[('C', 13), ('N', 15)]",-++++-++
890.4250451080983,891.4328701402983,446.22034758624915,"[('C', 13), ('N', 15)]",-++++-+-
893.4287896726972,894.4366147048972,447.7222198685486,"[('C', 13), ('N', 15)]",-++++--+
884.4112360382824,885.4190610704824,443.2134430513412,"[('C', 13), ('N', 15)]",-++++---
900.4396336369675,901.4474586691675,451.22764185068377,"[('C', 13), ('N', 15)]",-+++-+++
891.4220800025527,892.4299050347527,446.71886503347633,"[('C', 13), ('N', 15)]",-+++-++-
894.4258245671516,895.4336495993516,448.2207373157758,"[('C', 13), ('N', 15)]",-+++-+-+
885.4082709327367,886.4160959649367,443.7119604985684,"[('C', 13), ('N', 15)]",-+++-+--
896.4325342372961,897.4403592694961,449.22409215084804,"[('C', 13), ('N', 15)]",-+++--++
887.4149806028812,888.4228056350812,444.7153153336406,"[('C', 13), ('N', 15)]",-+++--+-
890.4187251674803,891.4265501996803,446.21718761594013,"[('C', 13), ('N', 15)]",-+++---+
881.4011715330654,882.4089965652654,441.7084107987327,"[('C', 13), ('N', 15)]",-+++----
901.4429884720398,902.4508135042398,451.7293192682199,"[('C', 13), ('N', 15)]",-++-++++
892.425434837625,893.433259869825,447.2205424510125,"[('C', 13), ('N', 15)]",-++-+++-
895.4291794022239,896.4370044344239,448.72241473331195,"[('C', 13), ('N', 15)]",-++-++-+
886.411625767809,887.419450800009,444.2136379161045,"[('C', 13), ('N', 15)]",-++-++--
897.4358890723686,898.4437141045686,449.7257695683843,"[('C', 13), ('N', 15)]",-++-+-++
888.4183354379537,889.4261604701537,445.21699275117686,"[('C', 13), ('N', 15)]",-++-+-+-
891.4220800025527,892.4299050347527,446.71886503347633,"[('C', 13), ('N', 15)]",-++-+--+
882.4045263681378,883.4123514003378,442.2100882162689,"[('C', 13), ('N', 15)]",-++-+---
898.432923966823,899.440748999023,450.2242870156115,"[('C', 13), ('N', 15)]",-++--+++
889.4153703324081,890.4231953646081,445.71551019840405,"[('C', 13), ('N', 15)]",-++--++-
892.419114897007,893.426939929207,447.2173824807035,"[('C', 13), ('N', 15)]",-++--+-+
883.4015612625922,884.4093862947922,442.7086056634961,"[('C', 13), ('N', 15)]",-++--+--
894.4258245671515,895.4336495993515,448.22073731577575,"[('C', 13), ('N', 15)]",-++---++
885.4082709327366,886.4160959649366,443.7119604985683,"[('C', 13), ('N', 15)]",-++---+-
888.4120154973357,889.4198405295357,445.21383278086785,"[('C', 13), ('N', 15)]",-++----+
879.3944618629208,880.4022868951208,440.7050559636604,"[('C', 13), ('N', 15)]",-++-----
896.4325342372961,897.4403592694961,449.22409215084804,"[('C', 13), ('N', 15)]",-+-+++++
887.4149806028812,888.4228056350812,444.7153153336406,"[('C', 13), ('N', 15)]",-+-++++-
890.4187251674803,891.4265501996803,446.21718761594013,"[('C', 13), ('N', 15)]",-+-+++-+
881.4011715330654,882.4089965652654,441.7084107987327,"[('C', 13), ('N', 15)]",-+-+++--
892.4254348376248,893.4332598698248,447.2205424510124,"[('C', 13), ('N', 15)]",-+-++-++
883.40788120321,884.41570623541,442.711765633805,"[('C', 13), ('N', 15)]",-+-++-+-
886.4116257678089,887.4194508000089,444.21363791610446,"[('C', 13), ('N', 15)]",-+-++--+
877.394072133394,878.401897165594,439.704861098897,"[('C', 13), ('N', 15)]",-+-++---
893.4224697320792,894.4302947642792,447.7190598982396,"[('C', 13), ('N', 15)]",-+-+-+++
884.4049160976643,885.4127411298643,443.2102830810322,"[('C', 13), ('N', 15)]",-+-+-++-
887.4086606622634,888.4164856944634,444.7121553633317,"[('C', 13), ('N', 15)]",-+-+-+-+
878.3911070278485,879.3989320600485,440.20337854612427,"[('C', 13), ('N', 15)]",-+-+-+--
889.415370332408,890.423195364608,445.715510198404,"[('C', 13), ('N', 15)]",-+-+--++
880.3978166979931,881.4056417301931,441.20673338119656,"[('C', 13), ('N', 15)]",-+-+--+-
883.401561262592,884.4093862947921,442.70860566349603,"[('C', 13), ('N', 15)]",-+-+---+
874.3840076281772,875.3918326603772,438.1998288462886,"[('C', 13), ('N', 15)]",-+-+----
894.4258245671515,895.4336495993515,448.22073731577575,"[('C', 13), ('N', 15)]",-+--++++
885.4082709327366,886.4160959649366,443.7119604985683,"[('C', 13), ('N', 15)]",-+--+++-
888.4120154973357,889.4198405295357,445.21383278086785,"[('C', 13), ('N', 15)]",-+--++-+
879.3944618629208,880.4022868951208,440.7050559636604,"[('C', 13), ('N', 15)]",-+--++--
890.4187251674803,891.4265501996803,446.21718761594013,"[('C', 13), ('N', 15)]",-+--+-++
881.4011715330654,882.4089965652654,441.7084107987327,"[('C', 13), ('N', 15)]",-+--+-+-
884.4049160976643,885.4127411298643,443.2102830810322,"[('C', 13), ('N', 15)]",-+--+--+
875.3873624632495,876.3951874954495,438.70150626382474,"[('C', 13), ('N', 15)]",-+--+---
891.4157600619346,892.4235850941346,446.7157050631673,"[('C', 13), ('N', 15)]",-+---+++
882.3982064275198,883.4060314597198,442.2069282459599,"[('C', 13), ('N', 15)]",-+---++-
885.4019509921188,886.4097760243188,443.7088005282594,"[('C', 13), ('N', 15)]",-+---+-+
876.384397357704,877.392222389904,439.200023711052,"[('C', 13), ('N', 15)]",-+---+--
887.4086606622634,888.4164856944634,444.7121553633317,"[('C', 13), ('N', 15)]",-+----++
878.3911070278485,879.3989320600485,440.20337854612427,"[('C', 13), ('N', 15)]",-+----+-
881.3948515924475,882.4026766246475,441.70525082842374,"[('C', 13), ('N', 15)]",-+-----+
872.3772979580326,873.3851229902326,437.1964740112163,"[('C', 13), ('N', 15)]",-+------
901.4429884720398,902.4508135042398,451.7293192682199,"[('C', 13), ('N', 15)]",--++++++
892.425434837625,893.433259869825,447.2205424510125,"[('C', 13), ('N', 15)]",--+++++-
895.4291794022239,896.4370044344239,448.72241473331195,"[('C', 13), ('N', 15)]",--++++-+
886.411625767809,887.419450800009,444.2136379161045,"[('C', 13), ('N', 15)]",--++++--
897.4358890723686,898.4437141045686,449.7257695683843,"[('C', 13), ('N', 15)]",--+++-++
888.4183354379537,889.4261604701537,445.21699275117686,"[('C', 13), ('N', 15)]",--+++-+-
891.4220800025527,892.4299050347527,446.71886503347633,"[('C', 13), ('N', 15)]",--+++--+
882.4045263681378,883.4123514003378,442.2100882162689,"[('C', 13), ('N', 15)]",--+++---
898.432923966823,899.440748999023,450.2242870156115,"[('C', 13), ('N', 15)]",--++-+++
889.4153703324081,890.4231953646081,445.71551019840405,"[('C', 13), ('N', 15)]",--++-++-
892.419114897007,893.426939929207,447.2173824807035,"[('C', 13), ('N', 15)]",--++-+-+
883.4015612625922,884.4093862947922,442.7086056634961,"[('C', 13), ('N', 15)]",--++-+--
894.4258245671515,895.4336495993515,448.22073731577575,"[('C', 13), ('N', 15)]",--++--++
885.4082709327366,886.4160959649366,443.7119604985683,"[('C', 13), ('N', 15)]",--++--+-
888.4120154973357,889.4198405295357,445.21383278086785,"[('C', 13), ('N', 15)]",--++---+
879.3944618629208,880.4022868951208,440.7050559636604,"[('C', 13), ('N', 15)]",--++----
899.4362788018952,900.4441038340952,450.7259644331476,"[('C', 13), ('N', 15)]",--+-++++
890.4187251674804,891.4265501996804,446.2171876159402,"[('C', 13), ('N', 15)]",--+-+++-
893.4224697320793,894.4302947642793,447.71905989823966,"[('C', 13), ('N', 15)]",--+-++-+
884.4049160976645,885.4127411298645,443.21028308103223,"[('C', 13), ('N', 15)]",--+-++--
895.429179402224,896.437004434424,448.722414733312,"[('C', 13), ('N', 15)]",--+-+-++
886.4116257678091,887.4194508000091,444.2136379161046,"[('C', 13), ('N', 15)]",--+-+-+-
889.4153703324081,890.4231953646081,445.71551019840405,"[('C', 13), ('N', 15)]",--+-+--+
880.3978166979932,881.4056417301932,441.2067333811966,"[('C', 13), ('N', 15)]",--+-+---
896.4262142966784,897.4340393288784,449.2209321805392,"[('C', 13), ('N', 15)]",--+--+++
887.4086606622635,888.4164856944635,444.71215536333176,"[('C', 13), ('N', 15)]",--+--++-
890.4124052268625,891.4202302590625,446.21402764563123,"[('C', 13), ('N', 15)]",--+--+-+
881.3948515924476,882.4026766246476,441.7052508284238,"[('C', 13), ('N', 15)]",--+--+--
892.4191148970069,893.4269399292069,447.21738248070346,"[('C', 13), ('N', 15)]",--+---++
883.401561262592,884.4093862947921,442.70860566349603,"[('C', 13), ('N', 15)]",--+---+-
886.4053058271911,887.4131308593911,444.21047794579556,"[('C', 13), ('N', 15)]",--+----+
877.3877521927762,878.3955772249763,439.7017011285881,"[('C', 13), ('N', 15)]",--+-----
894.4258245671515,895.4336495993515,448.22073731577575,"[('C', 13), ('N', 15)]",---+++++
885.4082709327366,886.4160959649366,443.7119604985683,"[('C', 13), ('N', 15)]",---++++-
888.4120154973357,889.4198405295357,445.21383278086785,"[('C', 13), ('N', 15)]",---+++-+
879.3944618629208,880.4022868951208,440.7050559636604,"[('C', 13), ('N', 15)]",---+++--
890.4187251674803,891.4265501996803,446.21718761594013,"[('C', 13), ('N', 15)]",---++-++
881.4011715330654,882.4089965652654,441.7084107987327,"[('C', 13), ('N', 15)]",---++-+-
884.4049160976643,885.4127411298643,443.2102830810322,"[('C', 13), ('N', 15)]",---++--+
875.3873624632495,876.3951874954495,438.70150626382474,"[('C', 13), ('N', 15)]",---++---
891.4157600619346,892.4235850941346,446.7157050631673,"[('C', 13), ('N', 15)]",---+-+++
882.3982064275198,883.4060314597198,442.2069282459599,"[('C', 13), ('N', 15)]",---+-++-
885.4019509921188,886.4097760243188,443.7088005282594,"[('C', 13), ('N', 15)]",---+-+-+
876.384397357704,877.392222389904,439.200023711052,"[('C', 13), ('N', 15)]",---+-+--
887.4086606622634,888.4164856944634,444.7121553633317,"[('C', 13), ('N', 15)]",---+--++
878.3911070278485,879.3989320600485,440.20337854612427,"[('C', 13), ('N', 15)]",---+--+-
881.3948515924475,882.4026766246475,441.70525082842374,"[('C', 13), ('N', 15)]",---+---+
872.3772979580326,873.3851229902326,437.1964740112163,"[('C', 13), ('N', 15)]",---+----
892.4191148970069,893.4269399292069,447.21738248070346,"[('C', 13), ('N', 15)]",----++++
883.401561262592,884.4093862947921,442.70860566349603,"[('C', 13), ('N', 15)]",----+++-
886.4053058271911,887.4131308593911,444.21047794579556,"[('C', 13), ('N', 15)]",----++-+
877.3877521927762,878.3955772249763,439.7017011285881,"[('C', 13), ('N', 15)]",----++--
888.4120154973357,889.4198405295357,445.21383278086785,"[('C', 13), ('N', 15)]",----+-++
879.3944618629208,880.4022868951208,440.7050559636604,"[('C', 13), ('N', 15)]",----+-+-
882.3982064275198,883.4060314597198,442.2069282459599,"[('C', 13), ('N', 15)]",----+--+
873.3806527931049,874.3884778253049,437.69815142875245,"[('C', 13), ('N', 15)]",----+---
889.4090503917901,890.4168754239901,445.71235022809503,"[('C', 13), ('N', 15)]",-----+++
880.3914967573752,881.3993217895752,441.2035734108876,"[('C', 13), ('N', 15)]",-----++-
883.3952413219743,884.4030663541743,442.70544569318713,"[('C', 13), ('N', 15)]",-----+-+
874.3776876875594,875.3855127197594,438.1966688759797,"[('C', 13), ('N', 15)]",-----+--
885.4019509921188,886.4097760243188,443.7088005282594,"[('C', 13), ('N', 15)]",------++
876.384397357704,877.392222389904,439.200023711052,"[('C', 13), ('N', 15)]",------+-
879.3881419223029,880.3959669545029,440.70189599335146,"[('C', 13), ('N', 15)]",-------+
870.370588287888,871.378413320088,436.193119176144,"[('C', 13), ('N', 15)]",--------