REMARK  Name = BDB040494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.376  -1.128  -1.998  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        3.535   0.471  -0.923  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1        3.134  -0.827  -0.536  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        4.125  -1.872   0.426  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        1.879  -1.339  -0.893  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.978  -0.579  -1.643  0.00  0.00    -0.028 A 
ATOM      7  C   LIG    1        1.344   0.719  -2.003  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        2.598   1.236  -1.650  0.00  0.00    +0.047 A 
ATOM      9 CL   LIG    1        2.903   2.873  -2.130  0.00  0.00    -0.083 Cl
BRANCH   2  16
ATOM     10  O   LIG    1        8.556   1.101   1.387  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        7.449   1.064   0.857  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1        7.178   0.181  -0.157  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        7.950  -0.407  -0.443  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.072   0.149  -0.971  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1        6.080  -0.519  -2.003  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.905   1.048  -0.568  0.00  0.00    +0.108 C 
ATOM     17  C   LIG    1        4.980   1.456   0.908  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        6.352   2.036   1.215  0.00  0.00    +0.097 C 
ENDBRANCH   2  16
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  N   LIG    1       -1.303  -0.928  -0.910  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.190  -0.089  -0.355  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -2.570  -1.481  -0.970  0.00  0.00    +0.224 C 
ATOM     22  O   LIG    1       -2.893  -2.244  -1.876  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.524  -1.068   0.200  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1       -4.930  -1.723  -0.003  0.00  0.00    +0.049 C 
ATOM     25  C   LIG    1       -5.497  -2.264   1.303  0.00  0.00    +0.161 C 
ATOM     26  O   LIG    1       -4.676  -3.281   1.873  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1       -3.274  -3.108   1.672  0.00  0.00    +0.161 C 
ATOM     28  C   LIG    1       -2.901  -1.641   1.509  0.00  0.00    +0.049 C 
BRANCH  23  29
ATOM     29  C   LIG    1       -3.656   0.477   0.181  0.00  0.00    -0.032 A 
ATOM     30  C   LIG    1       -4.170   1.104  -0.977  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -4.284   2.493  -1.061  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -3.879   3.277   0.008  0.00  0.00    +0.123 A 
ATOM     33  F   LIG    1       -3.983   4.609  -0.070  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -3.358   2.695   1.155  0.00  0.00    +0.038 A 
ATOM     35  C   LIG    1       -3.242   1.304   1.241  0.00  0.00    +0.007 A 
ENDBRANCH  23  29
ENDBRANCH  21  23
ENDBRANCH   1  19
TORSDOF 5