REMARK  Name = BDB006715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.941   1.466   1.950  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.230   0.243   1.510  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.896   0.097   1.111  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.623   0.817   0.918  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1        0.283  -0.314   0.503  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.429  -1.553   0.431  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.024  -2.660   0.121  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.747  -1.224   0.822  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -2.936  -1.817   1.013  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -3.874  -0.941   1.447  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.650  -0.153   0.270  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.447  -1.144  -0.180  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        3.799  -0.910  -0.405  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.412   0.309  -0.193  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        5.687   0.221  -0.501  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        5.932  -1.065  -0.920  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.614   1.390   0.297  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        4.196   2.753   0.575  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.801  -1.740  -0.860  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        4.606  -3.163  -1.217  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        2.298   1.148   0.515  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1       -0.895   1.844  -0.157  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -1.101   3.177   0.223  0.00  0.00    +0.130 A 
ATOM     24  F   LIG    1       -1.042   3.508   1.520  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -1.363   4.176  -0.708  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1       -1.425   3.845  -2.057  0.00  0.00    +0.044 A 
ATOM     27 CL   LIG    1       -1.748   5.067  -3.222  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -1.228   2.528  -2.470  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -0.966   1.530  -1.526  0.00  0.00    +0.010 A 
ENDBRANCH   4  22
BRANCH   9  30
ATOM     30  C   LIG    1       -3.212  -3.252   0.817  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -3.170  -3.897  -0.549  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -4.481  -3.745   0.162  0.00  0.00    +0.029 C 
ENDBRANCH   9  30
TORSDOF 3