52

C         -0.28480        1.14200       -0.17890
C         -1.45300        1.87910       -0.12260
C         -1.39710        3.25830       -0.04920
C         -0.17330        3.90110       -0.04280
C          0.99470        3.16440       -0.10440
C          0.93900        1.78480       -0.17240
C         -0.11250        5.40510        0.03090
C         -1.28780        5.99210       -0.70750
C         -1.08100        6.74780       -1.84640
C         -2.15930        7.28230       -2.52650
C         -3.44380        7.06930       -2.06200
C         -3.65020        6.31840       -0.91990
C         -2.57220        5.77960       -0.24280
C         -0.15760        5.83960        1.47320
C         -0.83580        5.07550        2.40440
C         -0.87310        5.47150        3.72830
C         -0.24060        6.63690        4.11920
C          0.43280        7.40400        3.18690
C          0.47450        7.00520        1.86400
N          1.13280        5.87410       -0.58170
C          1.39190        5.60080       -1.87580
S          0.24250        4.75100       -2.81790
N          2.55590        5.99650       -2.42820
C          3.50770        6.82830       -1.67480
C          4.89440        6.17140       -1.76580
O          5.21040        5.93140       -3.13920
C          4.32300        5.02140       -3.79360
C          2.90960        5.61470       -3.80450
H         -0.32840        0.06430       -0.23230
H         -2.40920        1.37710       -0.13210
H         -2.30970        3.83400       -0.00140
H          1.95080        3.66660       -0.09970
H          1.85150        1.20930       -0.22090
H         -0.07720        6.91760       -2.20690
H         -1.99800        7.86930       -3.41850
H         -4.28600        7.49000       -2.59120
H         -4.65370        6.15230       -0.55690
H         -2.73350        5.19290        0.64950
H         -1.33340        4.16720        2.09830
H         -1.39950        4.87240        4.45650
H         -0.27290        6.94830        5.15280
H          0.92660        8.31470        3.49220
H          1.00060        7.60450        1.13570
H          1.77100        6.38140       -0.05600
H          3.54310        7.82840       -2.10680
H          3.19670        6.88910       -0.63190
H          4.88870        5.22620       -1.22300
H          5.64090        6.83630       -1.33130
H          4.31520        4.07200       -3.25820
H          4.65790        4.85960       -4.81820
H          2.20230        4.87140       -4.17260
H          2.88580        6.49470       -4.44730