46

C         -7.40150       14.23710       -0.92040
S         -8.23040       13.53240        0.53110
C         -7.03420       12.33310        1.18040
C         -7.61440       11.65620        2.42380
C         -6.60550       10.64470        2.97150
H         -5.65310       11.14310        3.15240
C         -7.12380       10.06750        4.26350
O         -7.31500        8.87840        4.36010
N         -6.41570        9.56770        1.99680
C         -5.26910        8.85930        1.99010
O         -4.39260        9.11400        2.79270
C         -5.07750        7.77210        1.00630
C         -6.08340        7.47820        0.08290
C         -5.90500        6.46410       -0.83650
C         -4.73070        5.73700       -0.85260
C         -3.72020        6.01700        0.06790
C         -3.89280        7.03870        0.99780
C         -2.46310        5.23250        0.05170
C         -2.49820        3.86400        0.04520
C         -1.22710        3.13840        0.02970
C         -1.20720        1.73790        0.01720
C         -0.01260        1.07580        0.00800
C          1.18240        1.78120        0.00030
C          1.18500        3.16000        0.00730
C         -0.01840        3.85600        0.02200
O         -0.02130        5.20600        0.02840
C         -1.16360        5.90990        0.04300
O         -1.11990        7.12620        0.04870
H         -6.47010       14.71190       -0.61200
H         -7.18540       13.44390       -1.63610
H         -8.05090       14.97890       -1.38520
H         -6.11050       12.84800        1.44470
H         -6.82580       11.58000        0.42060
H         -8.53810       11.14140        2.15960
H         -7.82280       12.40940        3.18370
H         -7.11510        9.36430        1.35630
H         -7.00230        8.04570        0.08800
H         -6.68550        6.24080       -1.54880
H         -4.59580        4.94760       -1.57710
H         -3.11160        7.26200        1.70940
H         -3.43900        3.33370        0.05170
H         -2.13380        1.18300        0.01900
H          0.00210       -0.00410        0.00200
H          2.11980        1.24480       -0.01150
H          2.12100        3.69880        0.00090
O         -7.37300       10.87430        5.30680