REMARK  Name = BDB019698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.483   1.719  -0.889  0.00  0.00    +0.074 A 
ATOM      2  N   LIG    1       -0.200   1.420  -1.178  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1        0.105   0.129  -1.455  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -0.835  -0.894  -1.464  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -2.161  -0.594  -1.136  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -2.482   0.742  -0.861  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -0.002   3.272   1.221  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -1.096   3.873   0.382  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -1.769   3.133  -0.609  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -2.760   3.812  -1.341  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1       -3.045   5.148  -1.075  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1       -2.334   5.778  -0.075  0.00  0.00    +0.213 A 
ATOM     13  F   LIG    1       -2.610   7.062   0.194  0.00  0.00    -0.184 F 
ATOM     14  N   LIG    1       -1.379   5.177   0.658  0.00  0.00    -0.224 NA
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        1.548  -0.160  -1.734  0.00  0.00    +0.263 C 
ATOM     16  N   LIG    1        2.042  -1.336  -1.191  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        1.491  -1.821  -0.494  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        2.235   0.621  -2.382  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.458  -1.625  -1.214  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.101  -1.218   0.087  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        4.433   0.127   0.320  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        5.001   0.523   1.536  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        5.377   2.197   1.743  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        5.240  -0.427   2.533  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        5.936  -0.017   4.061  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        4.906  -1.767   2.311  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.337  -2.160   1.097  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -3.238  -1.652  -1.114  0.00  0.00    +0.158 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.800  -2.880  -0.463  0.00  0.00    -0.330 N 
ATOM     30  C   LIG    1       -2.551  -3.067   0.878  0.00  0.00    +0.107 A 
ATOM     31  C   LIG    1       -2.718  -2.017   1.916  0.00  0.00    +0.086 C 
ATOM     32  N   LIG    1       -2.132  -4.298   1.099  0.00  0.00    -0.241 NA
ATOM     33  C   LIG    1       -2.151  -4.930  -0.115  0.00  0.00    +0.130 A 
ATOM     34  C   LIG    1       -2.566  -4.069  -1.101  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6