33
E = -1116.68470818
N         -3.34951        1.16328       -1.08698
C         -2.86061        0.18325       -0.64675
N         -2.34917       -0.86483       -0.04481
C         -1.12938       -1.28330       -0.37013
N         -0.36800       -0.71274       -1.33887
N         -0.60988       -2.35226        0.29151
C          0.83202       -1.27904       -1.93254
H         -0.72731        0.15970       -1.71952
C         -1.36182       -2.98819        1.36145
H          0.40505       -2.28278        0.42910
C          2.16141       -0.70674       -1.42703
H          0.78073       -1.10661       -3.02094
H          0.79986       -2.36852       -1.78537
S          2.46999       -0.99112        0.35041
H          2.98399       -1.17441       -1.98807
H          2.19923        0.37914       -1.59565
C          2.33207        0.73451        1.03923
C          1.15892        1.50675        0.56964
H          3.26085        1.25544        0.77457
H          2.32082        0.57465        2.12568
N          1.21851        2.21908       -0.61915
C         -0.11381        1.58474        1.11702
C          0.00357        2.70968       -0.79691
N         -0.82726        2.36737        0.23213
C         -0.70869        1.00954        2.35369
H         -0.32689        3.32036       -1.63232
H         -1.84292        2.46902        0.21249
H         -1.59405        0.39627        2.12529
H          0.02366        0.36593        2.85780
H         -1.01330        1.79320        3.06513
H         -2.35832       -3.26573        0.99935
H         -0.82527       -3.89475        1.66706
H         -1.49100       -2.32957        2.23599
