33
E = -1116.67254860
N          4.47941       -1.69195        0.01876
C          3.98197       -0.64012       -0.17163
N          3.55546        0.56931       -0.45515
C          2.35380        1.05576       -0.19536
N          1.36362        0.51605        0.55547
N          2.09459        2.27820       -0.76789
C          1.43866       -0.77575        1.22060
H          0.41577        0.92760        0.50635
C          1.11502        3.22239       -0.26151
H          2.93039        2.65870       -1.20082
C          1.11859       -1.98113        0.32540
H          2.44772       -0.90741        1.63216
H          0.73216       -0.74761        2.06245
S         -0.63762       -2.38188        0.06557
H          1.62910       -1.89319       -0.64318
H          1.51828       -2.89002        0.79996
C         -1.23910       -1.02132       -1.02820
C         -2.06341       -0.00415       -0.32144
H         -1.82811       -1.50727       -1.81748
H         -0.36233       -0.56366       -1.50524
N         -1.49394        1.03424        0.39856
C         -3.44231        0.04782       -0.20958
C         -2.49493        1.70565        0.93878
N         -3.69030        1.14561        0.59802
C         -4.52664       -0.81937       -0.74293
H         -2.41112        2.58850        1.56589
H         -4.60717        1.47387        0.88218
H         -4.10355       -1.58414       -1.40552
H         -5.26671       -0.24688       -1.32398
H         -5.06408       -1.34526        0.06225
H          1.18283        4.13960       -0.85855
H          0.09433        2.82871       -0.36497
H          1.28259        3.47976        0.80006
