33
E = -1116.67467277
N          3.19083       -0.65301       -1.84877
C          2.26769        0.06778       -1.69932
N          1.19046        0.80181       -1.54698
C          1.02527        1.41213       -0.37639
N         -0.16579        1.98394       -0.08877
N          2.01215        1.51894        0.55126
C         -1.30819        2.00939       -0.98232
H         -0.25764        2.44626        0.80807
C          1.81268        1.96663        1.91728
H          2.84215        0.97188        0.33773
C         -2.60731        1.54987       -0.31270
H         -1.06276        1.37376       -1.84170
H         -1.45071        3.03952       -1.35700
S         -3.00649       -0.22505       -0.33483
H         -3.45107        1.99833       -0.85905
H         -2.67505        1.92212        0.72306
C         -2.11727       -0.94468        1.09532
C         -0.66403       -1.26700        0.95687
H         -2.70676       -1.85431        1.29754
H         -2.25147       -0.28755        1.96690
N          0.19307       -0.99748        2.01408
C          0.02355       -1.89065       -0.07376
C          1.37715       -1.44902        1.63424
N          1.32080       -2.00345        0.38881
C         -0.37541       -2.39273       -1.41669
H          2.29577       -1.40042        2.21304
H          2.12034       -2.23237       -0.20122
H          0.35427       -2.09016       -2.18289
H         -1.35121       -1.97823       -1.69478
H         -0.44723       -3.49235       -1.43587
H          1.51674        3.02843        1.94851
H          1.06641        1.34559        2.44201
H          2.76662        1.88468        2.45033
