REMARK  Name = BDB031396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.708  -0.784   0.722  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.693  -0.179  -0.163  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.338   0.003   0.562  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.231  -1.212   1.186  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.839  -2.152   1.594  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.193  -1.478   1.916  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.724   0.332   0.437  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        6.264  -0.052   1.645  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.959  -0.402   1.711  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.533  -0.761   2.935  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        4.043  -0.399   0.636  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.591   0.005  -0.591  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.932   0.376  -0.701  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       10.284   0.468  -0.842  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.859   0.269  -0.748  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.456  -0.487  -1.286  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.169   0.721   0.368  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.691   1.385   1.256  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.201  -1.898   0.317  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.502  -1.145   0.167  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.049  -0.920  -1.099  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1       -2.401  -1.354  -2.193  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.261  -0.244  -1.250  0.00  0.00    +0.085 A 
ATOM     24  C   LIG    1       -4.958   0.220  -0.122  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -6.216   0.920  -0.349  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -7.129   1.501   0.673  0.00  0.00    +0.036 C 
ATOM     27  C   LIG    1       -8.075   2.358  -0.180  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -7.981   1.824  -1.615  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -6.685   1.101  -1.589  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1       -5.971   0.620  -2.784  0.00  0.00    +0.253 A 
ATOM     31  O   LIG    1       -6.410   0.790  -3.915  0.00  0.00    -0.268 OA
ATOM     32  C   LIG    1       -4.427  -0.010   1.149  0.00  0.00    +0.011 A 
ATOM     33  N   LIG    1       -4.787  -0.029  -2.540  0.00  0.00    -0.320 N 
ATOM     34  H   LIG    1       -4.279  -0.371  -3.346  0.00  0.00    +0.169 HD
ATOM     35  C   LIG    1       -3.211  -0.690   1.291  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4