REMARK  Name = BDB063714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.546   0.973   0.219  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1       -2.446   1.938   0.668  0.00  0.00    +0.108 C 
ATOM      3  S   LIG    1       -0.754   1.288   0.514  0.00  0.00    -0.131 S 
ATOM      4  C   LIG    1       -1.188  -0.249   1.349  0.00  0.00    +0.169 C 
ATOM      5  N   LIG    1       -2.162  -0.924   0.508  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1       -1.526  -2.108   0.459  0.00  0.00    +0.244 C 
ATOM      7  O   LIG    1       -1.895  -3.171   0.021  0.00  0.00    -0.273 OA
ATOM      8  CA  LIG    1       -0.266  -1.490   1.143  0.00  0.00    +0.191 C 
ATOM      9  CA  LIG    1       -3.333  -0.368   0.071  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   8  10
ATOM     10  N   LIG    1        0.933  -1.339   0.274  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        0.844  -1.410  -0.731  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1        2.123  -0.870   0.802  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        2.221  -0.656   2.010  0.00  0.00    -0.267 OA
BRANCH  12  14
ATOM     14  C   LIG    1        3.195  -0.659  -0.152  0.00  0.00    +0.190 A 
ATOM     15  O   LIG    1        4.384  -0.172   0.326  0.00  0.00    -0.453 OA
ATOM     16  C   LIG    1        5.239  -0.047  -0.728  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1        4.617  -0.450  -1.888  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1        3.306  -0.846  -1.521  0.00  0.00    +0.055 A 
BRANCH  16  19
ATOM     19  C   LIG    1        6.586   0.481  -0.416  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  O   LIG    1        6.423   1.792   0.110  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        5.737   1.718   0.799  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  12  14
ENDBRANCH   8  10
BRANCH   1  23
ATOM     22  C   LIG    1       -5.163   2.911   0.136  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -4.847   1.619  -0.029  0.00  0.00    -0.001 C 
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -4.350  -1.249  -0.625  0.00  0.00    +0.352 C 
ATOM     25  O   LIG    1       -5.102  -0.859  -1.506  0.00  0.00    -0.244 OA
BRANCH  24  26
ATOM     26  OXT LIG    1       -4.426  -2.517  -0.172  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1       -3.571  -2.907   0.110  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   9  24
TORSDOF 7