53

C          6.59100       13.77710        2.23990
O          5.89730       12.54750        2.46070
C          5.69790       12.17570        3.75010
C          6.15350       12.97580        4.78280
C          5.95050       12.58650        6.10180
C          5.28540       11.39450        6.38750
C          4.82800       10.60100        5.37630
C          5.02370       10.97950        4.04340
C          4.52980       10.12370        2.95260
O          4.70110       10.45470        1.79470
N          3.88780        8.97320        3.23670
C          3.39620        8.12130        2.15090
H          3.06860        8.74120        1.31630
C          4.51330        7.17860        1.68730
C          4.03620        6.42670        0.45800
N          2.74170        5.78530        0.69200
C          1.74250        6.30600        1.60200
H          1.35570        5.44390        2.14540
C          2.22990        7.27280        2.65040
C          0.57940        6.85530        0.83190
O          0.33230        8.04150        0.88400
N         -0.18680        6.05440        0.09060
C         -0.06340        4.67450        0.04610
C         -1.25380        3.93980        0.04260
C         -1.23330        2.56410        0.02180
C         -0.02360        1.88670        0.01240
C          1.15730        2.59080        0.00490
C          1.15330        3.99700        0.01900
C          2.45790        4.66880       -0.01060
O          3.33280        4.19190       -0.70740
Br         0.00210       -0.00410        0.00200
S          6.53620       13.60220        7.41710
C          6.05000       12.70320        8.91570
H          6.68270       13.95520        1.16850
H          6.03510       14.59520        2.69800
H          7.58430       13.71890        2.68490
H          6.66920       13.89920        4.56450
H          5.13120       11.09820        7.41450
H          4.31370        9.67920        5.60490
H          3.75130        8.70920        4.16000
H          5.40520        7.75670        1.44560
H          4.74200        6.46350        2.47750
H          4.76670        5.66750        0.17870
H          3.93810        7.14470       -0.35620
H          1.40890        7.93120        2.93400
H          2.55080        6.71140        3.52790
H         -0.87690        6.46490       -0.45370
H         -2.20080        4.45890        0.05240
H         -2.16100        2.01100        0.01750
H          2.09710        2.05880       -0.01160
H          6.37330       13.26070        9.79480
H          4.96610       12.58980        8.93580
H          6.51840       11.71900        8.91710