44
Structure 1
S              -0.88441             0.75537            -2.12184
S               5.87090            -1.04889             0.56632
O               1.26756             2.95663             0.52950
O               0.69834             0.32715             2.24292
O              -5.28780            -0.06876            -0.57701
O              -2.38303             0.59004             3.04368
O               3.57985             1.05193             0.81705
O              -2.76526            -1.55353             2.40904
O              -6.67740            -1.87837            -0.60540
N              -0.95697             0.82820             0.60936
N               1.89125             1.02934            -0.72714
N              -7.43002             0.22273            -1.13789
C               0.88787             1.69978             0.07119
C              -0.56184             1.63153            -0.54362
C               0.27688             0.83626             1.22969
C              -2.12776             0.07136             0.76363
C              -2.91344            -0.15121            -0.31593
C              -2.64466             0.37245            -1.71224
C              -4.18258            -0.94467            -0.20163
C               3.15890             0.74445            -0.29139
C              -2.45103            -0.35261             2.22154
C               1.62688             3.89861            -0.48844
C               4.05032             0.06044            -1.33487
C               4.79833            -1.13446            -0.81510
C               4.80771            -2.39656            -1.35011
C              -6.48524            -0.67861            -0.74699
C               5.67300            -3.30383            -0.66312
C               6.32110            -2.71871             0.38785
H               1.60648             0.66229            -1.62497
H              -7.24482             1.20701            -1.01590
H              -8.39087            -0.07706            -1.07924
H              -1.05276             2.60732            -0.56166
H              -3.24037             1.26755            -1.91696
H              -2.93826            -0.37871            -2.45211
H              -4.32882            -1.31697             0.81071
H              -4.18015            -1.79554            -0.89175
H               2.51505             3.57452            -1.03911
H               0.80366             4.05916            -1.19531
H               1.84114             4.83345             0.03021
H               3.47596            -0.24894            -2.21222
H               4.75151             0.83437            -1.67564
H               4.21690            -2.66703            -2.21873
H               5.80091            -4.34351            -0.94212
H               7.01619            -3.16610             1.08499
