REMARK  Name = BDB020794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.013  -0.216   0.220  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        0.758  -1.337  -0.113  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        2.107  -1.284  -0.368  0.00  0.00    +0.172 A 
ATOM      4  N   LIG    1        2.542  -2.505  -0.620  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        1.466  -3.363  -0.562  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.741  -0.004  -0.307  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        1.920   1.023   0.013  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        0.406  -2.647  -0.269  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.567   0.951   0.276  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.176   0.220  -0.548  0.00  0.00    -0.035 C 
ATOM     11  C   LIG    1        4.887   1.313   0.224  0.00  0.00    +0.063 C 
ATOM     12  C   LIG    1        6.402   1.105   0.219  0.00  0.00    +0.165 C 
ATOM     13  O   LIG    1        6.852   0.899  -1.119  0.00  0.00    -0.375 OA
ATOM     14  C   LIG    1        6.365  -0.335  -1.652  0.00  0.00    +0.187 C 
ATOM     15  C   LIG    1        4.900  -0.535  -1.398  0.00  0.00    +0.005 C 
ENDBRANCH   6  10
BRANCH   1  16
ATOM     16  N   LIG    1       -1.359  -0.379   0.474  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.669  -1.290   0.795  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.150   0.708   1.028  0.00  0.00    +0.143 C 
BRANCH  18  21
ATOM     19  F   LIG    1       -3.698  -0.041   3.284  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -4.320  -0.017   2.097  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1       -3.606   0.352   0.949  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.305   0.342  -0.255  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.831   0.603  -1.636  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.182   0.702  -2.345  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.177  -0.002  -1.565  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.644  -0.024  -0.303  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.348  -0.395   0.824  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.671  -0.386   2.044  0.00  0.00    +0.042 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4