45

C         -1.25610       -1.35520       -6.22570
C         -1.70720       -0.66340       -5.11730
C         -1.04660        0.45360       -4.72590
S          0.25320        0.56020       -5.94510
C         -0.16650       -0.89620       -6.88850
C         -1.33770        1.37110       -3.56640
C         -0.59650        0.88900       -2.34600
O          0.09950       -0.10200       -2.41140
N         -0.70720        1.55920       -1.18190
C          0.01330        1.09050        0.00450
H          0.04670        0.00110       -0.00210
C          1.44010        1.63910       -0.02240
C          1.40370        3.17430       -0.07750
N          0.52040        3.63000        0.99830
C         -0.84110        3.09230        1.21300
H         -1.53270        3.42750        0.44000
C         -0.72130        1.56610        1.26170
C         -1.21380        3.64520        2.57030
O         -2.19610        3.37480        3.22730
N         -0.22360        4.50270        2.89770
C          0.73870        4.52670        1.96310
O          1.69580        5.27520        1.99170
C         -0.20320        5.27240        4.06970
C          0.91860        6.02600        4.38710
C          0.93430        6.78730        5.53940
C         -0.16240        6.79030        6.38300
C         -1.27960        6.03590        6.07150
C         -1.30240        5.27740        4.91750
Br        -0.13460        7.82760        7.96380
H         -1.76450       -2.24800       -6.55890
H         -2.57330       -1.00750       -4.57150
H          0.31940       -1.30350       -7.76280
H         -2.40880        1.37240       -3.36410
H         -1.01330        2.38210       -3.81270
H         -1.26390        2.35180       -1.12960
H          1.96800        1.32100        0.87660
H          1.95890        1.25750       -0.90180
H          2.40660        3.57430        0.07190
H          1.01320        3.50130       -1.04120
H         -1.71630        1.12210        1.29370
H         -0.15840        1.27160        2.14740
H          1.77680        6.02020        3.73150
H          1.80510        7.37730        5.78450
H         -2.13480        6.04040        6.73120
H         -2.17460        4.68840        4.67500