33
E = -1116.66222092
N          5.77025       -0.79602       -1.02745
C          5.03803        0.07822       -0.73289
N          4.24131        1.08850       -0.43534
C          3.03411        0.80169        0.03454
N          2.52063       -0.46823        0.04271
N          2.28632        1.83541        0.50312
C          1.72348       -1.04214        1.12138
H          3.17260       -1.12929       -0.38533
C          0.83229        1.93129        0.42399
H          2.80977        2.70560        0.47425
C          0.74127       -2.09357        0.60581
H          1.19256       -0.23841        1.64475
H          2.38896       -1.51754        1.86708
S         -0.61496       -1.43581       -0.41478
H          1.26743       -2.82245       -0.02924
H          0.31583       -2.65627        1.45108
C         -1.71555       -0.79099        0.91329
C         -2.72302        0.13822        0.33569
H         -2.18798       -1.64401        1.42209
H         -1.10531       -0.23942        1.64116
N         -2.51955        1.50791        0.33602
C         -3.91989       -0.17706       -0.28532
C         -3.57424        2.02317       -0.26445
N         -4.44799        1.04512       -0.65804
C         -4.59080       -1.47572       -0.56286
H         -3.76174        3.07942       -0.43689
H         -5.33120        1.18468       -1.13743
H         -4.74146       -1.63733       -1.64192
H         -3.96771       -2.30103       -0.19654
H         -5.57450       -1.54912       -0.07186
H          0.42467        1.08541       -0.14344
H          0.54735        2.85324       -0.10060
H          0.35928        1.95197        1.41712
