36

C          4.05260        7.80220       -4.31790
S          4.52750        7.14630       -2.69470
O          4.51890        8.18540       -1.72540
O          5.65080        6.28570       -2.82410
N          3.27970        6.14960       -2.25670
C          2.16530        6.70370       -1.50370
C          1.80490        5.82760       -0.32020
N          1.88490        4.40260       -0.61750
C          2.82080        3.82760       -1.56180
H          2.25720        3.05130       -2.07920
C          3.33130        4.74790       -2.63570
C          3.91460        3.10980       -0.83200
O          5.05750        3.50660       -0.91770
N          3.63940        2.03670       -0.08770
C          2.39800        1.42310       -0.03450
C          2.39500        0.02380       -0.03730
C          1.21280       -0.67950       -0.01590
C          0.00210       -0.00410        0.00200
C         -0.01660        1.37070        0.00960
C          1.18350        2.10370        0.00210
C          1.07140        3.56630        0.06380
O          0.20200        4.04950        0.76320
Br        -1.62190       -0.97270        0.01540
H          3.11310        8.34760       -4.22870
H          4.83020        8.47470       -4.67980
H          3.92900        6.97820       -5.02070
H          2.43720        7.69570       -1.14290
H          1.29900        6.78850       -2.15980
H          2.48400        6.05270        0.50210
H          0.78800        6.06360       -0.00640
H          4.36430        4.48370       -2.86200
H          2.73070        4.60540       -3.53410
H          4.35430        1.66210        0.45030
H          3.33310       -0.51110       -0.05620
H          1.22790       -1.75940       -0.01330
H         -0.96200        1.89270        0.01690