REMARK  Name = BDB021609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.703   0.422  -0.165  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        2.659   1.284  -0.505  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        1.325   0.846  -0.640  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        0.508   1.889  -0.964  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.894   1.694  -0.906  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -1.331   0.648  -1.910  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -1.352  -0.669  -1.298  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.296  -1.205  -0.573  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.417  -2.302  -0.021  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.027  -0.508  -0.451  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        2.096  -1.369  -0.106  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.414  -0.916   0.036  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        4.928   1.017  -0.079  0.00  0.00    -0.486 OA
BRANCH  13  19
ATOM     14  C   LIG    1        9.954  -1.238   0.917  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1        8.582  -0.751   0.804  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1        8.514   0.714   0.898  0.00  0.00    +0.124 C 
ATOM     17  C   LIG    1        7.064   1.215   0.998  0.00  0.00    +0.220 C 
ATOM     18  F   LIG    1        6.741   1.371   2.318  0.00  0.00    -0.240 F 
ATOM     19  C   LIG    1        6.055   0.243   0.365  0.00  0.00    +0.210 C 
ATOM     20  C   LIG    1        6.706  -0.448  -0.832  0.00  0.00    +0.063 C 
ATOM     21  C   LIG    1        7.934  -1.260  -0.412  0.00  0.00    +0.088 C 
ENDBRANCH  13  19
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  C   LIG    1       -2.549  -1.492  -1.510  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.437  -1.705  -0.270  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -4.589  -2.477  -0.649  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -5.143  -2.575   0.145  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -3.857  -0.405   0.465  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.409   0.699  -0.353  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -5.671   0.364  -1.038  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -6.875   0.272  -0.127  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -6.919   0.998   1.077  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -8.062   0.935   1.885  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -9.160   0.171   1.492  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -9.124  -0.539   0.294  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.715   1.785   1.535  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -7.989  -0.486  -0.515  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -4.627   1.915   0.455  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 7