REMARK  Name = BDB031373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.249  -0.885   0.081  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.879  -1.996   0.978  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.488  -2.551   0.594  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.613  -1.565   0.692  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.121  -0.191   0.453  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.139  -0.069  -0.439  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.236   0.261  -0.404  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.933  -0.532   0.643  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.634  -0.886   0.777  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.365  -1.649   1.850  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.574  -0.495  -0.072  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.962   0.326  -1.142  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.293   0.713  -1.316  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.262   2.468  -0.953  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.912   1.963  -0.918  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.164   2.632  -0.796  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.676   0.644  -0.555  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.573  -0.168  -0.356  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.712  -1.943  -0.210  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.011  -1.239   0.112  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.733  -0.590  -0.896  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -3.259  -0.568  -2.152  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.943   0.044  -0.618  0.00  0.00    +0.104 A 
ATOM     24  N   LIG    1       -5.656   0.700  -1.638  0.00  0.00    -0.317 N 
ATOM     25  H   LIG    1       -5.287   0.707  -2.582  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -6.856   1.350  -1.442  0.00  0.00    +0.276 A 
ATOM     27  C   LIG    1       -7.351   1.318  -0.098  0.00  0.00    +0.150 A 
ATOM     28  N   LIG    1       -6.661   0.680   0.900  0.00  0.00    -0.224 N 
ATOM     29  N   LIG    1       -7.272   0.749   2.104  0.00  0.00    -0.173 NA
ATOM     30  C   LIG    1       -8.380   1.453   1.849  0.00  0.00    +0.155 A 
ATOM     31  C   LIG    1       -8.479   1.831   0.497  0.00  0.00    +0.091 A 
ATOM     32 CL   LIG    1       -9.745   2.727  -0.181  0.00  0.00    -0.080 Cl
ATOM     33  O   LIG    1       -7.417   1.900  -2.385  0.00  0.00    -0.266 OA
ATOM     34  C   LIG    1       -5.440   0.023   0.687  0.00  0.00    +0.092 A 
ATOM     35  C   LIG    1       -4.749  -0.623   1.712  0.00  0.00    +0.030 A 
ATOM     36  C   LIG    1       -3.537  -1.255   1.418  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4