REMARK  Name = BDB063393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.100  -0.001   2.327  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1       -0.810   0.606   0.943  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        0.672   0.501   0.590  0.00  0.00    +0.105 C 
ATOM      4  N   LIG    1        1.060  -0.921   0.462  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        0.399  -1.843   1.406  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -0.083  -1.113   2.658  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.178  -1.319  -0.321  0.00  0.00    +0.101 C 
ATOM      8  C   LIG    1        3.370  -0.369  -0.359  0.00  0.00    +0.227 C 
ATOM      9  O   LIG    1        3.432   0.619   0.369  0.00  0.00    -0.284 OA
ATOM     10  C   LIG    1        4.489  -0.657  -1.287  0.00  0.00    +0.123 A 
ATOM     11  C   LIG    1        4.541  -1.845  -1.978  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        5.633  -2.082  -2.821  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        6.628  -1.117  -2.941  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        6.495   0.051  -2.212  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        3.481  -2.837  -1.831  0.00  0.00    +0.208 C 
ATOM     16  O   LIG    1        3.605  -3.927  -2.380  0.00  0.00    -0.286 OA
ATOM     17  N   LIG    1        5.453   0.300  -1.391  0.00  0.00    -0.251 NA
ATOM     18  C   LIG    1        2.284  -2.464  -1.029  0.00  0.00    +0.113 C 
ATOM     19 CL   LIG    1        0.980  -3.611  -1.153  0.00  0.00    -0.078 Cl
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.549  -0.520   2.458  0.00  0.00    +0.022 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.618   0.571   2.372  0.00  0.00    +0.104 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.437   2.246   0.747  0.00  0.00    +0.282 C 
ATOM     23  N   LIG    1       -3.864   1.010   1.016  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.942   0.308   0.286  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1       -4.658   3.081   1.622  0.00  0.00    -0.269 OA
BRANCH  22  27
ATOM     26  C   LIG    1       -5.484   3.755  -1.017  0.00  0.00    +0.095 C 
ATOM     27  C   LIG    1       -4.741   2.465  -0.749  0.00  0.00    +0.320 C 
ATOM     28  F   LIG    1       -3.589   2.466  -1.486  0.00  0.00    -0.196 F 
ATOM     29  F   LIG    1       -5.479   1.424  -1.245  0.00  0.00    -0.196 F 
ENDBRANCH  22  27
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5