49

C          4.36080        2.59460        1.45900
S          2.68260        2.46470        2.13530
O          1.98440        3.68850        1.95080
O          2.71530        1.83410        3.40830
N          1.90850        1.38360        1.14810
C          1.93100       -0.05350        1.44520
C          0.52040       -0.62310        1.40520
H          0.59490       -1.71050        1.42050
C         -0.20290       -0.21730        0.12060
C         -0.24190        1.31160        0.05230
H         -0.82560        1.63370       -0.81010
C          1.20330        1.82620       -0.06400
C         -0.82470        1.86550        1.33160
C         -1.41640        3.08710        1.26760
C         -1.92320        3.69730        2.42060
C         -1.79420        3.05150        3.61950
C         -1.17850        1.78530        3.65040
O         -1.01420        1.21940        4.71950
N         -0.76670        1.18790        2.50460
C         -0.29100       -0.19120        2.61240
N         -2.26770        3.64050        4.79860
S         -2.87100        5.18240        4.76950
O         -3.80620        5.23250        3.70070
O         -3.22500        5.50530        6.10730
C         -1.54330        6.25310        4.32750
C         -1.38590        6.65260        3.01320
C         -0.34480        7.49250        2.66500
C          0.54020        7.93400        3.63050
C          0.38360        7.53480        4.94680
C         -0.66320        6.69780        5.29540
F          1.24770        7.96610        5.89150
H          4.31130        2.95170        0.43040
H          4.94120        3.29520        2.05930
H          4.83820        1.61500        1.48100
H          2.35550       -0.21040        2.43680
H          2.54780       -0.56510        0.70640
H         -1.21940       -0.61050        0.13150
H          0.33410       -0.60990       -0.74300
H          1.67070        1.41940       -0.96070
H          1.20690        2.91540       -0.10440
H         -1.49630        3.59270        0.31660
H         -2.40730        4.66110        2.36480
H         -1.15060       -0.85360        2.71460
H          0.32900       -0.28150        3.50430
H         -2.24230        3.14530        5.63220
H         -2.07660        6.30770        2.25800
H         -0.22290        7.80410        1.63810
H          1.35340        8.59050        3.35830
H         -0.78900        6.38920        6.32270