REMARK  Name = BDB016936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.096   0.597   0.244  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        0.112  -0.534   0.337  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.150   0.216   0.154  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.943   1.536  -0.086  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.103   2.203  -0.269  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1       -3.050   1.283  -0.117  0.00  0.00    +0.116 A 
ATOM      7  N   LIG    1       -2.496   0.028   0.174  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        0.466   1.841  -0.055  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        0.953   2.947  -0.226  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     10  C   LIG    1        4.819  -2.306   1.855  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        4.375  -0.997   1.274  0.00  0.00    -0.019 A 
ATOM     12  C   LIG    1        5.261   0.045   0.962  0.00  0.00    +0.116 A 
ATOM     13  N   LIG    1        6.623   0.131   1.092  0.00  0.00    -0.129 NA
ATOM     14  N   LIG    1        7.005   1.328   0.665  0.00  0.00    -0.065 NA
ATOM     15  N   LIG    1        5.901   1.983   0.263  0.00  0.00    -0.247 N 
ATOM     16  C   LIG    1        6.013   3.324  -0.244  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1        4.771   1.228   0.431  0.00  0.00    +0.091 A 
ATOM     18  C   LIG    1        3.409   1.453   0.181  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        2.497   0.428   0.481  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        2.998  -0.771   1.025  0.00  0.00    +0.029 A 
ENDBRANCH   1  19
BRANCH   2  21
ATOM     21  C   LIG    1        0.332  -1.593  -0.735  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1        0.456  -2.947  -0.375  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        0.657  -3.930  -1.347  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        0.737  -3.572  -2.690  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        0.979  -4.785  -3.885  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        0.620  -2.238  -3.070  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        0.420  -1.254  -2.098  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   6  28
ATOM     28  C   LIG    1       -4.530   1.544  -0.252  0.00  0.00    +0.083 C 
ATOM     29  C   LIG    1       -5.200   1.757   1.104  0.00  0.00    +0.171 C 
ATOM     30  O   LIG    1       -5.389   3.166   1.305  0.00  0.00    -0.379 OA
ATOM     31  C   LIG    1       -4.838   3.854   0.174  0.00  0.00    +0.160 C 
ATOM     32  C   LIG    1       -4.833   2.852  -0.960  0.00  0.00    +0.041 C 
ENDBRANCH   6  28
BRANCH   7  33
ATOM     33  C   LIG    1       -3.247  -1.192   0.451  0.00  0.00    +0.083 C 
ATOM     34  C   LIG    1       -3.353  -2.086  -0.781  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1       -2.736  -1.956   1.672  0.00  0.00    +0.030 C 
ENDBRANCH   7  33
TORSDOF 4