REMARK  Name = BDB040493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.166  -1.283  -0.442  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.990  -2.071  -0.365  0.00  0.00    +0.047 A 
ATOM      3 CL   LIG    1        1.615  -3.301  -1.531  0.00  0.00    -0.083 Cl
ATOM      4  C   LIG    1        1.040  -1.889   0.649  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        1.219  -0.911   1.627  0.00  0.00    -0.028 A 
ATOM      6  C   LIG    1        2.351  -0.099   1.550  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        3.307  -0.276   0.535  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        4.616   0.853   0.575  0.00  0.00    -0.083 Cl
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1        6.615   1.463  -3.064  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        5.879   0.556  -2.684  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1        6.365  -0.478  -1.925  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        7.337  -0.392  -1.659  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        5.639  -1.399  -1.210  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        6.173  -2.054  -0.315  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.168  -1.551  -1.567  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1        3.819  -0.841  -2.882  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        4.395   0.561  -2.953  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1        0.183  -0.699   2.699  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -0.828   0.232   2.253  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -0.548   1.203   2.145  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -1.980  -0.192   1.621  0.00  0.00    +0.226 C 
ATOM     22  O   LIG    1       -2.255  -1.388   1.537  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.915   0.930   1.081  0.00  0.00    +0.097 C 
ATOM     24  C   LIG    1       -2.089   2.002   0.362  0.00  0.00    +0.180 C 
ATOM     25  O   LIG    1       -1.545   2.854   1.386  0.00  0.00    -0.378 OA
ATOM     26  C   LIG    1       -2.481   2.879   2.470  0.00  0.00    +0.161 C 
ATOM     27  C   LIG    1       -3.477   1.754   2.247  0.00  0.00    +0.051 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.009   0.324   0.190  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -5.208  -0.162   0.750  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -6.199  -0.732  -0.052  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -5.997  -0.840  -1.419  0.00  0.00    +0.123 A 
ATOM     32  F   LIG    1       -6.946  -1.388  -2.188  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -4.816  -0.398  -1.999  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -3.823   0.173  -1.199  0.00  0.00    +0.007 A 
ENDBRANCH  23  28
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5