44

C          1.02690        3.53450        0.01120
C          1.24790        2.02050        0.00100
O         -0.01640        1.35450        0.00950
C          0.00210       -0.00410        0.00200
C          1.21490       -0.68000       -0.01900
C          1.23790       -2.05830       -0.02170
C          0.03960       -2.77460       -0.01410
C         -1.17760       -2.09120        0.00160
C         -1.19200       -0.71280        0.00960
C          0.05970       -4.25260       -0.02230
N         -0.95350       -5.03700       -0.29050
N         -0.58960       -6.26770       -0.20860
C          0.66880       -6.32960        0.11470
N          1.16280       -5.06170        0.24850
N          2.46640       -4.87540        0.57920
C          3.29470       -6.08230        0.77680
H          4.11060       -6.12340        0.05520
S          2.05020       -7.39430        0.46060
C          3.81550       -6.16140        2.18870
C          3.08150       -5.61710        3.22620
C          3.55500       -5.68700        4.52310
C          4.76780       -6.30370        4.78550
C          5.50660       -6.85150        3.74130
C          5.02360       -6.78300        2.44430
O          6.69780       -7.45730        3.99370
C          7.40140       -7.99710        2.87320
O          5.23530       -6.37300        6.06070
H          1.99130        4.04250        0.00480
H          0.45750        3.82450       -0.87180
H          0.47450        3.81490        0.90810
H          1.81730        1.73050        0.88400
H          1.80030        1.74010       -0.89580
H          2.14140       -0.12510       -0.02940
H          2.18170       -2.58330       -0.03360
H         -2.10680       -2.64170        0.00720
H         -2.13330       -0.18340        0.02220
H          2.55430       -4.24440        1.36160
H          2.13620       -5.13590        3.02290
H          2.97980       -5.26070        5.33170
H          5.59280       -7.21150        1.63270
H          8.33260       -8.45030        3.21300
H          6.78520       -8.75370        2.38730
H          7.62300       -7.19910        2.16460
H          4.95430       -7.16430        6.54010