REMARK  Name = BDB063033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.135  -0.566  -1.375  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -4.644  -1.425  -0.359  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -3.994  -1.518   0.875  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -2.856  -0.753   1.061  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -2.013  -0.680   2.257  0.00  0.00    +0.190 C 
ATOM      6  C   LIG    1       -0.914   0.284   1.952  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -1.105   0.798   0.547  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1        0.032   0.577   2.854  0.00  0.00    +0.019 C 
ATOM      9  O   LIG    1       -2.195  -1.287   3.293  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1       -2.344   0.092   0.080  0.00  0.00    -0.028 A 
ATOM     11  C   LIG    1       -2.977   0.195  -1.148  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        1.120   1.528   2.595  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        2.203   1.225   1.744  0.00  0.00    +0.128 A 
ATOM     14  C   LIG    1        3.193   2.191   1.533  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        3.119   3.434   2.170  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        2.057   3.725   3.020  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        1.060   2.775   3.233  0.00  0.00    +0.011 A 
BRANCH  13  18
ATOM     18  O   LIG    1        2.186  -0.018   1.167  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.332  -0.468   0.443  0.00  0.00    +0.234 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.206  -0.105  -1.036  0.00  0.00    +0.083 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.387  -0.575  -1.829  0.00  0.00    -0.007 A 
ATOM     22  S   LIG    1        5.762   0.433  -2.006  0.00  0.00    -0.101 S 
ATOM     23  C   LIG    1        6.574  -0.736  -2.952  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1        5.816  -1.871  -3.135  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        4.551  -1.777  -2.487  0.00  0.00    +0.011 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   8  12
BRANCH   1  27
ATOM     26  C   LIG    1       -4.389   0.300  -3.591  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -4.848  -0.550  -2.550  0.00  0.00    -0.491 OA
ENDBRANCH   1  27
BRANCH   2  28
ATOM     28  O   LIG    1       -5.781  -2.126  -0.684  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.322  -2.994   0.302  0.00  0.00    +0.277 C 
ENDBRANCH   2  28
TORSDOF 7