54

C         -4.37960        3.14190       -3.46350
C         -5.21810        4.42130       -3.49250
C         -6.45260        4.24220       -2.60650
C         -4.38150        5.59130       -2.97100
H         -3.47270        5.72760       -3.57560
C         -5.20740        6.85150       -2.99960
O         -5.42240        7.45910       -1.97210
N         -5.70720        7.30340       -4.16680
C         -6.46900        8.46570       -4.19320
N         -6.81320        9.25360       -3.19320
C         -7.54430       10.33250       -3.39390
C         -7.94910       10.61280       -4.65680
S         -7.21790        9.24890       -5.55010
N         -3.95950        5.31510       -1.59560
C         -2.84930        4.58660       -1.36470
O         -2.19960        4.15980       -2.29560
C         -2.41520        4.30250        0.05020
N         -1.19050        3.49870        0.03310
C          0.02020        4.11660        0.02480
N          1.14840        3.47480        0.01010
C          1.19510        2.11820        0.00200
C          2.40830        1.43010       -0.01320
C          2.41240        0.04880       -0.02060
C          1.21100       -0.66800       -0.01310
C          0.00210       -0.00410        0.00200
C         -0.01680        1.39100        0.00970
C         -1.27500        2.14820        0.03190
O         -2.35310        1.58230        0.04380
O          1.23530       -2.02780       -0.02010
C         -0.02610       -2.69920       -0.01130
O          3.59440       -0.62000       -0.03500
C          4.78600        0.16870       -0.04210
H         -3.49210        3.27070       -4.10050
H         -4.98110        2.30070       -3.83840
H         -4.06280        2.93450       -2.43070
H         -5.53490        4.62870       -4.52530
H         -7.05540        5.16210       -2.62740
H         -6.13570        4.03480       -1.57370
H         -7.05410        3.40100       -2.98150
H         -5.51230        6.75240       -5.09870
H         -7.81810       10.97540       -2.57050
H         -8.54840       11.43360       -5.02220
H         -4.54870        5.70230       -0.75130
H         -2.22370        5.25150        0.57250
H         -3.20940        3.74970        0.57340
H          0.04480        5.19630        0.03030
H          3.34070        1.97510       -0.01880
H         -0.92360       -0.56030        0.00750
H          0.13750       -3.78690       -0.01830
H         -0.60200       -2.40930       -0.90250
H         -0.58470       -2.41820        0.89370
H          5.66410       -0.49370       -0.05360
H          4.81390        0.79890        0.85900
H          4.79720        0.80800       -0.93720