REMARK  Name = BDB016587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.468  -0.789   1.612  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1        0.007  -0.600   0.150  0.00  0.00    +0.107 C 
ATOM      3  N   LIG    1       -1.398  -0.186   0.122  0.00  0.00    -0.296 NA
ATOM      4  C   LIG    1       -1.646   1.080   0.829  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1       -0.494   1.560   1.722  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1        0.177   0.430   2.498  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.855  -1.253   1.734  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1        1.903  -2.265   1.879  0.00  0.00    +0.146 HD
BRANCH   7  15
ATOM      9  C   LIG    1        6.333   1.053  -0.847  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1        5.209   0.393  -0.210  0.00  0.00    -0.231 N 
ATOM     11  C   LIG    1        5.299  -0.951   0.138  0.00  0.00    +0.287 A 
ATOM     12  O   LIG    1        6.287  -1.645  -0.097  0.00  0.00    -0.265 OA
ATOM     13  C   LIG    1        4.097  -1.518   0.815  0.00  0.00    +0.129 A 
ATOM     14 CL   LIG    1        4.139  -3.215   1.185  0.00  0.00    -0.076 Cl
ATOM     15  C   LIG    1        3.012  -0.784   1.110  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1        3.165   0.647   0.752  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        4.160   1.202   0.140  0.00  0.00    -0.175 NA
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1       -1.950  -0.202  -1.240  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.454  -0.216  -1.267  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -4.185   0.930  -1.585  0.00  0.00    +0.131 A 
ATOM     21  F   LIG    1       -3.545   2.070  -1.883  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -5.579   0.925  -1.603  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -6.272  -0.245  -1.298  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -5.562  -1.401  -0.981  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -4.168  -1.378  -0.969  0.00  0.00    +0.131 A 
ATOM     26  F   LIG    1       -3.513  -2.511  -0.675  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4