REMARK  Name = BDB018820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.607  -0.560  -0.419  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.335  -0.492   0.145  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -0.975  -0.349   1.591  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1        0.553  -0.429   1.554  0.00  0.00    +0.118 C 
ATOM      5  N   LIG    1        0.972  -0.396   0.141  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1        2.277  -0.398  -0.330  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1        2.584  -0.479  -1.521  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1       -0.188  -0.491  -0.657  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -0.289  -0.567  -2.037  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.559  -0.647  -2.615  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.709  -0.643  -1.814  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -4.894   1.704  -0.391  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1       -4.762   0.447   0.382  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1       -3.800  -0.545   0.397  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -4.255  -1.468   1.363  0.00  0.00    +0.143 A 
ATOM     16  N   LIG    1       -5.406  -1.094   1.925  0.00  0.00    -0.181 NA
ATOM     17  N   LIG    1       -5.699   0.061   1.304  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1       -6.556   0.539   1.563  0.00  0.00    +0.189 HD
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1        3.381  -0.241   0.733  0.00  0.00    +0.176 C 
ATOM     20  N   LIG    1        4.730  -0.700   0.259  0.00  0.00    -0.252 N 
ATOM     21  C   LIG    1        5.405   0.497  -0.356  0.00  0.00    +0.192 C 
ATOM     22  C   LIG    1        4.531   1.700  -0.009  0.00  0.00    +0.267 C 
ATOM     23  F   LIG    1        3.814   2.117  -1.074  0.00  0.00    -0.204 F 
ATOM     24  F   LIG    1        5.266   2.751   0.416  0.00  0.00    -0.204 F 
ATOM     25  C   LIG    1        3.606   1.224   1.089  0.00  0.00    +0.109 C 
BRANCH  20  26
ATOM     26  C   LIG    1        4.993  -1.961  -0.108  0.00  0.00    +0.170 C 
ATOM     27  N   LIG    1        5.225  -3.058  -0.392  0.00  0.00    -0.174 NA
ENDBRANCH  20  26
ENDBRANCH   6  19
TORSDOF 3