REMARK  Name = BDB040552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.179   0.147   1.487  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.834  -1.074   1.306  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.202  -1.121   1.008  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        2.890  -2.703   0.851  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        2.966   0.058   0.868  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.291   1.282   1.068  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        3.086   2.820   0.992  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        0.920   1.323   1.362  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.454  -0.014   0.527  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        4.849   0.840  -0.675  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        4.131   0.989  -1.662  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.110   1.386  -0.648  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.366   1.940  -1.454  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        7.128   1.109   0.229  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.263   1.538   0.039  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.797   0.186   1.375  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.327   0.283   1.752  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -1.300   0.186   1.764  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.587  -1.096   0.083  0.00  0.00    +0.228 C 
ATOM     20  N   LIG    1       -2.045   0.092   0.531  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.140   0.933  -0.029  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.496  -2.133   0.738  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.204  -0.708  -2.368  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1       -3.259  -1.049  -1.302  0.00  0.00    +0.119 C 
ATOM     25  C   LIG    1       -3.866  -2.420  -1.644  0.00  0.00    +0.030 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.310   0.016  -1.249  0.00  0.00    +0.232 A 
ATOM     27  O   LIG    1       -5.612  -0.349  -1.025  0.00  0.00    -0.418 OA
ATOM     28  C   LIG    1       -6.250   0.868  -1.014  0.00  0.00    +0.283 A 
ATOM     29  N   LIG    1       -5.418   1.873  -1.206  0.00  0.00    -0.106 NA
ATOM     30  N   LIG    1       -4.165   1.323  -1.356  0.00  0.00    -0.111 NA
BRANCH  28  31
ATOM     31  C   LIG    1       -7.714   0.879  -0.799  0.00  0.00    +0.427 C 
ATOM     32  F   LIG    1       -8.067   0.172   0.310  0.00  0.00    -0.199 F 
ATOM     33  F   LIG    1       -8.378   0.305  -1.840  0.00  0.00    -0.199 F 
ENDBRANCH  28  31
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6