45

C          7.11730        0.92840       -0.06090
C          5.81770        1.69110       -0.04440
C          5.81800        3.07640       -0.03700
C          4.59880        3.73950       -0.02180
N          3.47980        3.03180       -0.01490
C          3.51620        1.70840       -0.02230
N          4.66280        1.04580       -0.03140
N          2.32300        0.99760       -0.01480
C          1.14680        1.65550       -0.00000
O          1.13030        2.87110        0.00670
N         -0.01110        0.96580        0.00740
S         -1.45630        1.77420        0.01860
O         -2.47550        0.78450       -0.00900
O         -1.36850        2.74880        1.04900
C         -1.57090        2.65770       -1.50160
C         -1.08890        3.95040       -1.58780
C         -1.17440        4.64180       -2.78180
C         -1.75110        4.04400       -3.88680
C         -2.23820        2.75330       -3.79900
C         -2.14800        2.06010       -2.60650
Cl         4.54180        5.47450       -0.01250
C          7.11340        3.84640       -0.04570
C          7.55900        4.09590        1.37210
C          7.15640        5.24220        2.03160
C          7.56130        5.46870        3.33380
C          8.37690        4.55390        3.97310
C          8.78410        3.41040        3.31170
C          8.37500        3.18130        2.01130
H          7.44040        0.73900        0.96270
H          6.97530       -0.02030       -0.57850
H          7.87620        1.51480       -0.57880
H          2.33610        0.02770       -0.02010
H          0.00210       -0.00410        0.00200
H         -0.64210        4.41890       -0.72340
H         -0.79410        5.65030       -2.85030
H         -1.82130        4.58550       -4.81860
H         -2.68910        2.28640       -4.66230
H         -2.52860        1.05170       -2.53790
H          7.87540        3.26960       -0.56990
H          6.96610        4.79970       -0.55330
H          6.52260        5.95890        1.53070
H          7.24340        6.36230        3.85040
H          8.69620        4.73260        4.98920
H          9.42160        2.69580        3.81100
H          8.69320        2.28790        1.49450