44

C         -6.40700        3.57920       -6.56360
C         -6.49610        2.22310       -6.81650
C         -7.07950        1.38350       -5.88620
C         -7.57420        1.90000       -4.70320
C         -7.49030        3.25690       -4.45290
C         -6.90220        4.09580       -5.38090
C         -8.21060        0.98460       -3.68920
C         -7.14140        0.47400       -2.72120
H         -6.33530        0.00460       -3.28490
C         -7.75310       -0.53530       -1.78410
O         -7.74330       -0.33680       -0.59230
N         -6.60660        1.59730       -1.94750
C         -5.36710        1.52500       -1.42340
O         -4.69440        0.53000       -1.59210
C         -4.81690        2.68040       -0.62760
H         -5.44890        2.83100        0.24770
C         -4.87530        3.95640       -1.47620
S         -3.14590        4.58530       -1.32420
C         -2.67210        3.56760        0.13680
H         -2.92830        4.02620        1.09190
N         -3.46290        2.34110       -0.17850
C         -2.63020        1.29380       -0.00510
O         -2.98240        0.13670        0.11560
C         -1.22980        1.75770        0.01740
C         -1.23220        3.15650        0.05450
C         -0.04440        3.85070        0.03440
C          1.15890        3.16600        0.00750
C          1.17230        1.78260        0.00040
C         -0.01260        1.07580        0.00800
H         -5.95090        4.23520       -7.29030
H         -6.10960        1.81960       -7.74070
H         -7.14910        0.32400       -6.08370
H         -7.88070        3.66100       -3.53060
H         -6.83290        5.15540       -5.18350
H         -8.67080        0.13940       -4.20100
H         -8.97240        1.53150       -3.13360
H         -7.14460        2.39300       -1.81260
H         -5.58920        4.67530       -1.07410
H         -5.11230        3.71110       -2.51150
H         -0.05060        4.93060        0.03990
H          2.08970        3.71350       -0.00770
H          2.11400        1.25380       -0.01140
H          0.00210       -0.00410        0.00200
O         -8.30880       -1.65490       -2.27340