15
Conformer name: IN/N1 Relative energy: 0.00 kcal/mol
C   0.7558751444   0.2384874291  -0.2594064728
C   0.0213026986  -0.0444320401   1.0544960838
N   0.2385461665   1.5792616801  -0.6926257299
H   0.9381524468   2.1532753174  -1.1582701278
H  -0.5519667745   1.4070732700  -1.3278532616
H   1.8242347725   0.3123667283  -0.0557074798
C   0.4642174828  -0.7748008967  -1.3592987783
H   0.6299204340  -1.7776078985  -0.9650662072
H   1.1266804125  -0.6085683353  -2.2134423615
O  -0.8924080353  -0.5342754382  -1.6937263553
O  -0.6084143983   0.8156686322   1.6179539491
H  -1.1995296793  -1.1703088035  -2.3457083252
O   0.2090325419  -1.2879598954   1.4591375543
H  -0.2436085682  -1.4159689381   2.3075758707
H  -0.1266973529   2.0517328264   0.1481228332
15
Conformer name: IIN/N2 Relative energy: 0.67 kcal/mol
C   0.4760724020   0.0383968100  -0.2361584576
C   0.0169202934  -0.0391306405   1.2135336971
N   0.2978942644   1.4655361084  -0.6597469845
H   0.0859447656   1.4729162969  -1.6651316398
H  -0.4667416690   1.8703700835  -0.1042093051
H   1.5274303897  -0.2230261596  -0.3425980452
C  -0.3816956829  -0.8321645652  -1.1571789936
H  -1.4426890005  -0.7181414625  -0.9101838104
H  -0.0912142627  -1.8741039953  -1.0194221076
O  -0.0969315305  -0.3474908027  -2.4572689797
O  -0.5554603043   0.8805390361   1.7423810574
H  -0.5579662122  -0.8702714632  -3.1196328316
O   0.2983194682  -1.2183379967   1.7419838134
H  -0.0315491663  -1.2462518532   2.6541737504
H   1.1312005107   2.0258788920  -0.4857704031
15
Conformer name: IIIN/N3 Relative energy: 3.67 kcal/mol
C   0.7505512529   0.2536375564  -0.2542779272
C   0.0875314417  -0.2384967934   1.0351091890
N   0.1866179104   1.5974781517  -0.6385055967
H  -0.7067387627   1.4182755710  -1.1164908051
H   0.0125546056   2.1699687997   0.1896384134
H   1.8180840546   0.3681306831  -0.0654883690
C   0.4757225521  -0.7062561403  -1.4035816963
H   0.6597095185  -1.7202076451  -1.0482866722
H   1.1277157313  -0.4893531374  -2.2542294743
O  -0.8885599970  -0.4737949215  -1.7188598828
O   0.1504040595  -1.3747707950   1.3916184601
H  -1.2235969134  -1.1554533178  -2.3074671145
O  -0.5123900113   0.7725241739   1.6917458259
H  -0.8883928303   0.4274930054   2.5162210182
H   0.8019195810   2.0980067927  -1.2793353541
15
Conformer name: IVN/N4 Relative energy: 4.49 kcal/mol
C   0.4446985128   0.0568248409  -0.2397761603
C   0.0810412122  -0.2305900433   1.2088307158
N   0.1850597955   1.4913875347  -0.6160150482
H   0.1928085692   1.5351718890  -1.6433441563
H  -0.7256093345   1.8002212134  -0.2710618999
H   1.5102160643  -0.1178794111  -0.3875848218
C  -0.3541575539  -0.8174462425  -1.2032980861
H  -1.4247285300  -0.7608203599  -0.9777157616
H  -0.0204199511  -1.8484554051  -1.0858098659
O  -0.0602346443  -0.2763016456  -2.4792372450
O   0.1944121255  -1.3182989999   1.6865924385
H  -0.4329943932  -0.8257632594  -3.1743083777
O  -0.3854975959   0.8725453978   1.8247895476
H  -0.6128355498   0.6424820205   2.7394122031
H   0.8865620602   2.1232838945  -0.2314935331
15
Conformer name: VN/N5 Relative energy: 8.89 kcal/mol
C   0.4889855610   0.0110830248  -0.2415785694
C   0.0104993855  -0.0381024085   1.2152987428
N   0.3560693583   1.4424941518  -0.6627880620
H   0.1384818288   1.4661639601  -1.6660632491
H  -0.3971724033   1.8529285303  -0.0900011576
H   1.5312747609  -0.2831731406  -0.3634444267
C  -0.4135136234  -0.8191175919  -1.1594763727
H  -1.4655029649  -0.6373987286  -0.9151851291
H  -0.1946453750  -1.8794230985  -1.0154348029
O  -0.0924347090  -0.3724587087  -2.4624154824
O  -0.6188443563   0.8852432474   1.6597284237
H  -0.6144922633  -0.8443501721  -3.1182867820
O   0.2697001946  -1.1337993798   1.9138112971
H   0.8341289194  -1.7589966055   1.4427665351
H   1.2047339954   1.9793156549  -0.4877465082
15
Conformer name: VIN/N7 Relative energy: 9.08 kcal/mol
C   0.7633761324   0.2099942253  -0.2651906229
C   0.0143778469  -0.0438975734   1.0620721502
N   0.2759745136   1.5611353347  -0.6967771573
H   1.0013188416   2.1528986559  -1.0955890169
H  -0.4798344790   1.4168254072  -1.3779055328
H   1.8343613737   0.2639837584  -0.0650003658
C   0.4541501598  -0.7890752927  -1.3769184667
H   0.6133409852  -1.8096579105  -1.0184020572
H   1.1219006979  -0.6218354657  -2.2271287548
O  -0.8963290994  -0.5378548827  -1.7062030569
O  -0.6295271211   0.8438390399   1.5567810933
H  -1.1972249582  -1.1335882981  -2.3986412072
O   0.1415097945  -1.2318870843   1.6296473447
H   0.7080215115  -1.8337634603   1.1332447551
H  -0.1425318557   1.9918824132   0.1478747929
15
Conformer name: VIIN/N6 Relative energy: 9.08 kcal/mol
C   0.5104518722   0.5579392435  -0.1904748078
C   0.0050499160  -0.4437741085   0.8505354752
N   0.3003212472   1.8961850192   0.4624065493
H   0.1041525313   2.6352023641  -0.2130744985
H  -0.5011807456   1.7695447588   1.1049012851
H   1.5651815194   0.4153623635  -0.4161100367
C  -0.3351561116   0.5116109260  -1.4684364805
H   0.0261646809   1.2899167551  -2.1526443865
H  -1.3818248401   0.7239142239  -1.2111567248
O  -0.1610605408  -0.7762995666  -1.9837912162
O  -0.8072241133  -0.0914682274   1.6759454544
H  -0.6392939714  -0.8635012580  -2.8132877486
O   0.5428629110  -1.6346020711   0.7182086445
H   0.1520567657  -2.2355316297   1.3725966791
H   1.1051775180   2.1790609551   1.0220827415
15
Conformer name: VIIIN/N8 Relative energy: 9.11 kcal/mol
C  -0.5913813866   0.3600105864  -0.1135776627
C   0.5209831730   0.0483742066   0.8843798182
N  -1.8613646540   0.0642771304   0.6413322087
H  -2.2242258559  -0.8635454799   0.4143953193
H  -1.6136457564   0.0629136396   1.6456473682
H  -0.5748694353   1.4247671182  -0.3492136489
C  -0.5232296580  -0.4386131106  -1.4308460268
H  -1.4978931704  -0.3742591708  -1.9211282879
H  -0.3166529780  -1.4939035157  -1.2170433139
O   0.4033901970   0.1356055515  -2.2995283342
O   0.2796112588  -0.1747177201   2.0460524284
H   1.2929536406  -0.1377428736  -2.0569549461
O   1.7160257540   0.0535854542   0.3158487755
H   2.3883740781  -0.1279321796   0.9923119620
H  -2.5945799147   0.7469566192   0.4550692607
15
Conformer name: IXN/N9 Relative energy: 9.51 kcal/mol
C   0.3357029350   0.5575948687  -0.1587294551
C   0.0378276502  -0.4963393225   0.9103675194
N   0.0932063765   1.8678435793   0.5416014735
H  -0.8142874834   2.2662588339   0.2965342637
H   0.0753952349   1.6458984704   1.5543156368
H   1.3915879358   0.5038735658  -0.4278664811
C  -0.4921869646   0.4487114169  -1.4445095175
H  -0.5382841740   1.4404058035  -1.9149052135
H  -1.5134467534   0.1280368225  -1.2110788877
O   0.1970065428  -0.4707180943  -2.2436702046
O  -0.1742863064  -0.1663965370   2.0555442783
H  -0.3775975746  -0.7957862466  -2.9420550745
O   0.0531485045  -1.7215258083   0.4326230501
H  -0.1200225941  -2.3432383195   1.1576997778
H   0.8110884960   2.5609185082   0.3365953999
15
Conformer name: XN/N10 Relative energy: 9.55 kcal/mol
C  -0.6448981719   0.3786368981  -0.0554882334
C   0.6150449601   0.0360083893   0.7741170216
N  -1.7799939957   0.0601506188   0.8708396181
H  -2.4764627915   0.8013298447   0.9238846111
H  -2.2516415715  -0.8120135623   0.6287394701
H  -0.6511833357   1.4523528877  -0.2492303383
C  -0.7546759582  -0.3740044994  -1.3807285199
H  -1.7037555702  -0.1350612238  -1.8695794725
H  -0.6987738072  -1.4555810817  -1.2096677509
O   0.3475032348   0.0972408073  -2.1315009384
O   0.4776774547  -0.2068323986   1.9510276631
H   0.3808003875  -0.3338746155  -2.9912395714
O   1.7675139468   0.0499128243   0.1531413784
H   1.6348431513   0.1793045983  -0.8058294396
H  -1.3044227308  -0.0693200268   1.7951029281
