REMARK  Name = BDB062637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.060  -0.444  -0.586  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1        0.652  -1.748  -0.782  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.313   0.388  -1.715  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -1.283  -1.279   1.684  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -1.375  -0.636   0.443  0.00  0.00    +0.150 A 
ATOM      6  C   LIG    1       -2.603  -0.144  -0.030  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -3.761  -0.278   0.739  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1       -3.669  -0.910   1.984  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -2.445  -1.404   2.453  0.00  0.00    +0.048 A 
BRANCH   7  10
ATOM     10  C   LIG    1       -5.057   0.230   0.253  0.00  0.00    -0.044 C 
ATOM     11  C   LIG    1       -5.557  -0.279  -1.080  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1       -6.701   0.564  -1.655  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -7.722   0.916  -0.580  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -7.072   1.692   0.565  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -5.739   1.136   0.978  0.00  0.00    -0.023 C 
ENDBRANCH   7  10
BRANCH   4  17
ATOM     16  C   LIG    1        0.000  -2.612   3.192  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -0.054  -1.721   2.084  0.00  0.00    -0.493 OA
ENDBRANCH   4  17
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  N   LIG    1        1.059   0.553   0.380  0.00  0.00    -0.216 N 
ATOM     19  H   LIG    1        0.704   1.504   0.278  0.00  0.00    +0.174 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.448   0.485   0.036  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1        2.980   1.355  -0.913  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        4.322   1.218  -1.245  0.00  0.00    -0.023 A 
ATOM     23  C   LIG    1        5.070   2.027  -2.255  0.00  0.00    +0.056 C 
ATOM     24  C   LIG    1        6.496   1.510  -2.073  0.00  0.00    +0.118 C 
ATOM     25  N   LIG    1        6.435   0.331  -1.197  0.00  0.00    -0.271 N 
ATOM     26  C   LIG    1        7.582  -0.403  -0.988  0.00  0.00    +0.217 C 
ATOM     27  O   LIG    1        8.658  -0.068  -1.497  0.00  0.00    -0.276 OA
ATOM     28  C   LIG    1        7.534  -1.638  -0.135  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1        5.132   0.227  -0.674  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        4.593  -0.647   0.255  0.00  0.00    +0.025 A 
ATOM     31  C   LIG    1        3.241  -0.518   0.604  0.00  0.00    +0.026 A 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5