52

C         -7.70920        8.11240        8.06790
S         -8.75070        8.26860        6.59080
O         -8.73610        9.60970        6.12130
O         -9.97970        7.58180        6.78360
C         -7.91130        7.34710        5.34550
C         -8.18490        6.00240        5.17810
C         -7.52640        5.27950        4.20100
C         -6.59490        5.90140        3.39080
C         -6.31780        7.24490        3.56140
C         -6.97940        7.96880        4.53550
C         -5.87700        5.11320        2.32560
N         -6.64250        5.17230        1.07320
C         -8.07570        4.93900        1.31920
C         -8.78560        4.90740       -0.01130
C         -8.14390        4.74680       -1.19100
N         -9.08790        4.77000       -2.16750
C        -10.28390        4.94250       -1.55680
N        -10.08980        5.02320       -0.26550
C         -6.65110        4.57900       -1.30930
C         -6.10520        4.22920        0.08270
H         -6.41320        3.21790        0.38650
C         -4.60100        4.31860        0.06890
N         -3.76210        3.31290        0.04980
C         -2.52920        3.86840        0.04650
N         -2.69050        5.16620        0.05450
O         -3.87230        5.43910        0.06740
C         -1.23560        3.14170        0.03030
C         -1.21710        1.74810        0.01730
C         -0.01260        1.07580        0.00800
C          1.17840        1.78370        0.00040
C          1.16530        3.17020        0.00800
C         -0.03620        3.85060        0.02260
Cl         2.66090        4.05150       -0.00160
F          2.35580        1.12130       -0.01490
H         -7.72850        7.07100        8.42170
H         -8.09180        8.77520        8.85800
H         -6.67590        8.39630        7.81960
H         -8.91290        5.51670        5.81090
H         -7.73990        4.22890        4.07050
H         -5.58680        7.72970        2.93120
H         -6.76590        9.01940        4.66610
H         -4.87660        5.54120        2.16440
H         -5.78020        4.06570        2.64710
H         -8.20680        3.97880        1.83960
H         -8.47790        5.75160        1.94210
H        -11.20980        5.01000       -1.92840
H         -6.42830        3.77000       -2.02060
H         -6.20400        5.51730       -1.66940
H         -2.14490        1.19520        0.01830
H          0.00210       -0.00410        0.00200
H         -0.04610        4.93050        0.02850
H         -8.79230        4.65750       -3.22100