REMARK  Name = BDB048008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.088  -1.462   0.210  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -1.134  -1.652   0.841  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1       -1.566  -2.958   0.672  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.604  -3.610  -0.102  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -0.790  -4.966  -0.435  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.935  -5.634   0.009  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.885  -4.969   0.776  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.720  -3.624   1.121  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        0.417  -2.668  -0.387  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        0.898   0.533   1.170  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        0.822  -0.216   0.209  0.00  0.00    +0.280 C 
ATOM     12  N   LIG    1        1.412   0.050  -1.023  0.00  0.00    -0.180 N 
ATOM     13  H   LIG    1        1.290  -0.578  -1.809  0.00  0.00    +0.177 HD
BRANCH  12  14
ATOM     14  S   LIG    1        1.996   1.537  -1.463  0.00  0.00    +0.075 S 
ATOM     15  O   LIG    1        2.374   1.403  -2.856  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        1.063   2.560  -1.048  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.489   1.678  -0.518  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        3.480   2.378   0.692  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        4.663   2.508   1.419  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        5.848   1.953   0.932  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.856   1.269  -0.285  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.677   1.133  -1.018  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   2  23
ATOM     23  C   LIG    1       -1.890  -0.604   1.532  0.00  0.00    +0.157 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.428   0.427   0.565  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1       -2.002   1.764   0.642  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -2.462   2.727  -0.269  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1       -3.381   2.341  -1.255  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -3.826   1.022  -1.331  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.354   0.071  -0.426  0.00  0.00    +0.005 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -2.001   4.164  -0.187  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1       -1.557   4.652  -1.378  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -3.016   4.996   0.191  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -1.003   4.379   0.714  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 6