REMARK  Name = BDB019536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.625   0.727   0.645  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.237   2.072   0.593  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.005   2.443   0.056  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -1.857   1.432  -0.417  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -1.485   0.078  -0.371  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -0.242  -0.268   0.176  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.411   3.856   0.013  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.494   4.596  -1.185  0.00  0.00    +0.051 A 
ATOM      9 CL   LIG    1       -1.096   3.899  -2.719  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -1.890   5.936  -1.175  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -2.203   6.547   0.032  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -2.583   7.831   0.041  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.128   5.848   1.229  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -1.734   4.509   1.219  0.00  0.00    +0.013 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  O   LIG    1        2.443   1.139   2.081  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        1.951   0.400   1.236  0.00  0.00    +0.244 C 
ATOM     17  N   LIG    1        2.567  -0.732   0.750  0.00  0.00    -0.308 N 
ATOM     18  H   LIG    1        2.225  -1.145  -0.104  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.924  -1.091   1.133  0.00  0.00    +0.079 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.872  -0.276   0.285  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1        6.011  -0.729  -0.603  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        4.741  -0.229  -1.225  0.00  0.00    +0.006 C 
ENDBRANCH  19  20
BRANCH  19  23
ATOM     23  C   LIG    1        3.962  -2.594   1.209  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1        4.273  -3.533   0.071  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        5.230  -3.407   1.233  0.00  0.00    +0.006 C 
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -2.437  -0.987  -0.862  0.00  0.00    +0.139 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.451  -1.227   0.143  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1       -3.066  -1.260   1.083  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -4.375  -2.199   0.002  0.00  0.00    +0.176 C 
ATOM     30  N   LIG    1       -4.947  -2.358  -1.219  0.00  0.00    -0.316 N 
ATOM     31  H   LIG    1       -5.165  -1.480  -1.672  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -6.083  -3.240  -1.035  0.00  0.00    +0.127 C 
ATOM     33  C   LIG    1       -5.775  -3.858   0.333  0.00  0.00    +0.163 C 
ATOM     34  N   LIG    1       -4.769  -2.968   0.975  0.00  0.00    -0.255 NA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 8