55

C          2.22560        5.29210        0.00790
O          2.32180        3.86640       -0.00030
C          1.15530        3.16920        0.00760
C         -0.05720        3.84360        0.02230
C         -1.24150        3.13280        0.02980
C         -1.21940        1.75010        0.01730
C         -0.01260        1.07580        0.00800
C          1.17480        1.78230        0.00040
C          2.48990        1.04660       -0.01510
S          3.00200        0.75950       -1.73150
C          4.53420       -0.09750       -1.58150
C          5.22370       -0.48360       -2.72740
C          6.42490       -1.15550       -2.59490
C          6.89910       -1.42020       -1.31640
C          6.16350       -1.00830       -0.22350
N          5.02250       -0.36390       -0.37940
C         -2.51300        0.97710        0.01920
H         -2.33210       -0.03870        0.37070
C         -3.08200        0.93640       -1.37930
C         -4.39210        1.13800       -1.64800
C         -4.55730        1.02420       -3.07970
C         -5.66910        1.13540       -3.92060
C         -5.45120        0.96140       -5.26490
C         -4.19360        0.68820       -5.77750
C         -3.07580        0.57390       -4.96940
C         -3.26640        0.74570       -3.60000
N         -2.40220        0.70100       -2.54320
H         -1.44990        0.52830       -2.60810
C         -5.42470        1.42210       -0.58630
C         -4.82210        1.04480        0.77400
H         -4.74280       -0.03980        0.84810
C         -5.70980        1.56040        1.87720
O         -5.42400        2.58260        2.45470
H          1.67980        5.62450       -0.87520
H          1.69720        5.61550        0.90470
H          3.22640        5.72390        0.00030
H         -0.07500        4.92350        0.02830
H         -2.18550        3.65720        0.04090
H          0.00210       -0.00410        0.00200
H          3.24620        1.64360        0.49470
H          2.37730        0.09010        0.49530
H          4.82610       -0.26120       -3.70660
H          6.98190       -1.46780       -3.46600
H          7.83420       -1.94280       -1.17880
H          6.52870       -1.21220        0.77230
H         -6.65360        1.34780       -3.53060
H         -6.28700        1.03970       -5.94440
H         -4.08150        0.56050       -6.84400
H         -2.10050        0.36080       -5.38140
H         -5.68030        2.48160       -0.59500
H         -6.31780        0.82540       -0.77190
N         -3.48300        1.65390        0.90830
H         -3.53700        2.64750        0.65500
H         -3.16780        1.56550        1.88150
O         -6.81800        0.88420        2.21840