REMARK  Name = BDB063715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.683   0.675  -1.290  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1       -2.664  -0.455  -0.270  0.00  0.00    +0.108 C 
ATOM      3  S   LIG    1       -1.007  -0.778   0.420  0.00  0.00    -0.131 S 
ATOM      4  C   LIG    1       -0.249  -0.967  -1.218  0.00  0.00    +0.169 C 
ATOM      5  N   LIG    1       -0.427   0.272  -1.944  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1        0.878   0.617  -2.018  0.00  0.00    +0.244 C 
ATOM      7  O   LIG    1        1.445   1.626  -2.366  0.00  0.00    -0.273 OA
ATOM      8  CA  LIG    1        1.288  -0.726  -1.345  0.00  0.00    +0.191 C 
ATOM      9  CA  LIG    1       -1.569   1.016  -1.988  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   8  10
ATOM     10  N   LIG    1        2.081  -0.604  -0.091  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        2.280   0.313   0.287  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1        2.440  -1.730   0.625  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        2.155  -2.849   0.199  0.00  0.00    -0.267 OA
BRANCH  12  14
ATOM     14  C   LIG    1        3.149  -1.486   1.866  0.00  0.00    +0.191 A 
ATOM     15  O   LIG    1        3.529  -2.575   2.606  0.00  0.00    -0.439 OA
ATOM     16  C   LIG    1        4.170  -2.125   3.717  0.00  0.00    +0.195 A 
ATOM     17 CL   LIG    1        4.814  -3.163   4.924  0.00  0.00    -0.043 Cl
ATOM     18  C   LIG    1        4.213  -0.749   3.707  0.00  0.00    +0.063 A 
ATOM     19  C   LIG    1        3.558  -0.335   2.519  0.00  0.00    +0.056 A 
ENDBRANCH  12  14
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  C   LIG    1       -5.147   1.032  -0.947  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -3.956   1.389  -1.448  0.00  0.00    -0.001 C 
ENDBRANCH   1  21
BRANCH   9  22
ATOM     22  C   LIG    1       -1.522   2.203  -2.883  0.00  0.00    +0.352 C 
ATOM     23  O   LIG    1       -1.401   2.176  -4.094  0.00  0.00    -0.244 OA
BRANCH  22  24
ATOM     24  OXT LIG    1       -1.581   3.355  -2.192  0.00  0.00    -0.476 OA
ATOM     25  HXT LIG    1       -1.432   4.041  -2.875  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH   9  22
TORSDOF 5