54

C         -3.18050        1.16150       -1.49920
N         -2.18650        1.90040       -0.70930
C         -0.81990        1.62710       -1.19060
C         -0.01270        1.08580        0.00800
H          0.14420       -0.00290       -0.00380
C         -0.80100        1.61700        1.23410
C         -2.26480        1.53100        0.72010
H         -2.72640        0.53950        0.83790
C         -3.14250        2.50280        1.46590
N         -4.05210        2.20220        2.35900
C         -4.57960        3.38370        2.75220
N         -3.96500        4.32330        2.08100
O         -3.13490        3.83400        1.34430
C         -5.65360        3.57790        3.75690
C         -6.21860        2.47610        4.39660
C         -7.21730        2.65740        5.33070
C         -7.66240        3.93500        5.63680
C         -7.10030        5.04060        5.00020
C         -6.09530        4.86290        4.06700
O         -7.70530        6.16980        5.47240
C         -8.92090        5.72050        6.09970
O         -8.61830        4.37310        6.50680
N          1.35120        1.62060       -0.00210
S          2.59340        0.70910       -0.60910
O          3.76770        1.50250       -0.50530
O          2.48590       -0.57460       -0.00930
C          2.28520        0.48830       -2.32980
C          1.55270       -0.60030       -2.76570
C          1.30490       -0.77260       -4.11380
C          1.80170        0.14150       -5.03150
C          2.54120        1.23000       -4.59210
C          2.78110        1.40110       -3.24240
O          1.56480       -0.02920       -6.35870
C          0.79600       -1.17230       -6.73870
H         -3.10040        1.45490       -2.55630
H         -4.18980        1.39500       -1.12930
H         -2.99560        0.08140       -1.40340
H         -0.85800        0.88220       -1.99910
H         -0.37190        2.55730       -1.57000
H         -0.60590        0.97150        2.10310
H         -0.47850        2.64400        1.46050
H         -5.87470        1.47990        4.16050
H         -7.65400        1.80220        5.82500
H         -5.65630        5.71870        3.57570
H         -9.15440        6.37150        6.95510
H         -9.74530        5.76070        5.37260
H          1.52860        2.67950        0.23730
H          1.17060       -1.31450       -2.05130
H          0.72930       -1.62090       -4.45340
H          2.92870        1.94320       -5.30450
H          3.35670        2.24820       -2.89980
H          0.68010       -1.18910       -7.83240
H         -0.19570       -1.12090       -6.26560
H          1.31190       -2.08670       -6.41050