54

C         -4.20140       -1.53370       -2.30830
C         -3.10220       -0.57530       -2.68800
O         -3.06620       -0.10800       -3.80090
C         -2.04780       -0.20000       -1.67880
C         -0.64480       -0.53460       -2.22560
H         -0.13920       -1.23120       -1.55670
C          0.13090        0.79970       -2.28580
C         -0.59410        1.69260       -1.22250
H         -0.42720        2.75780       -1.38260
C         -2.05480        1.31630       -1.44490
C         -2.93640        1.72270       -0.28490
C         -2.40580        1.13010        1.01750
C         -0.98760        1.66300        1.27020
H         -1.00400        2.75110        1.33270
C         -0.06740        1.23170        0.14240
H         -0.01070        0.14310        0.13990
C          1.34640        1.78830        0.29280
C          1.76560        1.94290        1.74720
C          0.99630        0.96180        2.59590
C          1.63190        0.03610        3.30640
C          0.89300       -0.92730        4.12000
O          1.49230       -1.74980        4.78070
C         -0.61490       -0.89900        4.13770
C         -1.11670       -0.32060        2.81010
C         -0.50520        1.06750        2.61190
C         -0.93990        1.98470        3.75680
C         -2.54590        2.01440       -2.71470
Br        -0.79020       -1.31200       -4.02550
O         -2.27460       -0.88980       -0.44800
H         -4.07980       -1.82080       -1.35810
H         -5.16730       -1.04070       -2.41820
H         -4.16300       -2.40700       -2.95950
H          1.17610        0.64730       -2.01660
H          0.05110        1.24430       -3.27780
H         -3.95020        1.36200       -0.45870
H         -2.95150        2.80980       -0.20690
H         -2.37820        0.04330        0.93890
H         -3.05640        1.41950        1.84280
H          2.04440        1.11510       -0.20490
H          1.39420        2.76300       -0.19270
H          2.83350        1.74570        1.84090
H          1.55220        2.95830        2.08120
H          2.71080       -0.00520        3.28210
H         -0.96430       -1.82840        4.25630
H         -0.95850       -0.27330        4.96140
H         -0.81480       -0.97270        1.99050
H         -2.20370       -0.24290        2.83330
H         -0.50750        2.97490        3.61320
H         -2.02710        2.06120        3.76830
H         -0.59460        1.57150        4.70450
H         -2.43230        3.09270       -2.60360
H         -1.95860        1.67310       -3.56720
H         -3.59660        1.77460       -2.87800
H         -2.28120       -1.85310       -0.53240