49

C          1.98960       -1.57920       -0.02960
C          1.16780       -0.60840        0.82060
C          0.00210       -0.00410        0.00200
H          0.08490       -0.34680       -1.02940
N         -0.01780        1.46000        0.01010
C          1.36610        2.01890       -0.00010
H          1.84380        1.97920       -0.97910
S          2.14800        0.89940        1.23750
C          1.24320        3.40840        0.55490
C          2.15160        4.33250        1.01780
C          1.71630        5.57030        1.45960
C          0.36830        5.88250        1.43910
C         -0.55240        4.96090        0.98540
C         -0.12220        3.70850        0.54470
C         -0.84970        2.52250        0.05250
O         -2.02230        2.50500       -0.26740
C         -1.29780       -0.50800        0.57410
O         -1.99140        0.22780        1.24380
N         -1.68970       -1.77640        0.34150
C         -2.95340       -2.26630        0.89760
C         -3.15610       -3.70400        0.49380
C         -3.82800       -4.00380       -0.67690
C         -4.01020       -5.32080       -1.05210
C         -3.52830       -6.34310       -0.24760
C         -2.85950       -6.03970        0.92940
C         -2.67490       -4.72100        1.29740
O         -3.71070       -7.63950       -0.61200
C         -4.40820       -7.87730       -1.83640
C          0.65090       -1.29490        2.08650
H          2.40310       -1.04990       -0.88810
H          2.80210       -1.98930        0.57020
H          1.34920       -2.39010       -0.37670
H          3.20440        4.09230        1.03620
H          2.43110        6.29440        1.82170
H          0.03560        6.85180        1.78010
H         -1.60360        5.20810        0.97070
H         -1.13500       -2.36490       -0.19410
H         -2.92370       -2.19510        1.98490
H         -3.77670       -1.66220        0.51630
H         -4.20680       -3.20770       -1.30060
H         -4.53120       -5.55440       -1.96880
H         -2.48370       -6.83380        1.55760
H         -2.15400       -4.48430        2.21330
H         -5.40770       -7.44700       -1.77470
H         -3.86390       -7.41530       -2.66010
H         -4.48480       -8.95090       -2.00830
H         -0.03490       -2.09610        1.81120
H          1.49080       -1.71080        2.64300
H          0.12860       -0.56690        2.70720