REMARK  Name = BDB031119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.529  -0.992   1.186  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -0.019  -1.046   2.464  0.00  0.00    +0.154 A 
ATOM      3  F   LIG    1       -1.264  -1.496   2.677  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1        0.742  -0.633   3.544  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1        2.032  -0.186   3.303  0.00  0.00    +0.166 A 
ATOM      6  F   LIG    1        2.787   0.214   4.338  0.00  0.00    -0.202 F 
ATOM      7  C   LIG    1        2.547  -0.168   1.998  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1        1.797  -0.566   0.947  0.00  0.00    -0.225 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -3.576   0.050  -0.393  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -3.889  -0.699  -1.652  0.00  0.00    -0.011 A 
ATOM     11  C   LIG    1       -2.978  -1.552  -2.181  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1       -1.710  -1.751  -1.582  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1       -1.445  -1.059  -0.411  0.00  0.00    -0.297 N 
ATOM     14  C   LIG    1       -0.172  -1.432  -0.008  0.00  0.00    +0.094 A 
ATOM     15  C   LIG    1        0.273  -2.272  -1.013  0.00  0.00    +0.141 A 
ATOM     16  N   LIG    1       -0.687  -2.486  -1.962  0.00  0.00    -0.235 NA
ATOM     17  C   LIG    1       -2.356  -0.168   0.156  0.00  0.00    +0.100 A 
BRANCH   9  19
ATOM     18  C   LIG    1       -5.574   0.216   1.140  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1       -4.585   1.006   0.271  0.00  0.00    +0.087 C 
ATOM     20  C   LIG    1       -3.936   2.103   1.140  0.00  0.00    +0.046 C 
BRANCH  19  21
ATOM     21  O   LIG    1       -5.319   1.708  -0.737  0.00  0.00    -0.384 OA
ATOM     22  H   LIG    1       -5.944   2.306  -0.291  0.00  0.00    +0.211 HD
ENDBRANCH  19  21
ENDBRANCH   9  19
BRANCH  10  23
ATOM     23  C   LIG    1       -5.218  -0.486  -2.350  0.00  0.00    +0.191 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -5.454  -1.470  -3.358  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1       -6.274  -1.206  -3.808  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH  10  23
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  N   LIG    1        3.841   0.342   1.785  0.00  0.00    -0.320 N 
ATOM     27  H   LIG    1        4.464  -0.061   2.489  0.00  0.00    +0.148 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.394   0.168   0.427  0.00  0.00    +0.119 C 
ATOM     29  C   LIG    1        5.918   0.353   0.483  0.00  0.00    +0.189 C 
ATOM     30  F   LIG    1        6.455  -0.569   1.336  0.00  0.00    -0.243 F 
ATOM     31  C   LIG    1        6.573   0.192  -0.884  0.00  0.00    +0.054 C 
ATOM     32  C   LIG    1        5.623   0.525  -2.031  0.00  0.00    +0.084 C 
ATOM     33  N   LIG    1        4.706   1.602  -1.678  0.00  0.00    -0.314 NA
ATOM     34  H   LIG    1        5.231   2.437  -1.415  0.00  0.00    +0.122 HD
ATOM     35  C   LIG    1        3.814   1.209  -0.568  0.00  0.00    +0.106 C 
ENDBRANCH  26  28
ENDBRANCH   7  26
TORSDOF 7