33
E = -1116.67325089
N         -0.34021        2.94508       -1.06709
C         -1.07133        2.12363       -0.64304
N         -1.90504        1.32281       -0.02184
C         -2.22009        0.10417       -0.40864
N         -1.63999       -0.61662       -1.41425
N         -3.28816       -0.49642        0.19853
C         -0.21059       -0.64222       -1.70639
H         -2.14623       -1.46154       -1.67005
C         -4.05258        0.19234        1.22569
H         -3.21627       -1.50489        0.29413
C          0.43093       -1.97146       -1.29594
H         -0.05390       -0.48314       -2.78629
H          0.26873        0.19250       -1.18616
S          0.29065       -2.36672        0.47924
H         -0.04626       -2.80655       -1.83350
H          1.49539       -1.95857       -1.57113
C          1.89219       -1.67305        1.11556
C          2.19777       -0.32145        0.58938
H          2.69281       -2.37357        0.84620
H          1.76603       -1.68483        2.20685
N          2.94461       -0.16959       -0.56954
C          1.70986        0.90375        1.01694
C          2.89963        1.12220       -0.84706
N          2.18332        1.81137        0.09069
C          0.86040        1.28737        2.17634
H          3.36340        1.60952       -1.69983
H          1.80282        2.74852       -0.03795
H         -0.11900        1.67549        1.85780
H          1.34445        2.05674        2.79779
H          0.67641        0.40953        2.80879
H         -4.34530        1.18261        0.85853
H         -4.95556       -0.39306        1.43958
H         -3.47668        0.33070        2.15485
