REMARK  Name = BDB063394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.347  -0.407   2.191  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1       -1.079   0.356   0.882  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        0.419   0.510   0.627  0.00  0.00    +0.105 C 
ATOM      4  N   LIG    1        1.035  -0.816   0.417  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        0.465  -1.913   1.226  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -0.195  -1.385   2.498  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.244  -0.972  -0.313  0.00  0.00    +0.100 C 
ATOM      8  C   LIG    1        3.270   0.141  -0.192  0.00  0.00    +0.211 C 
ATOM      9  O   LIG    1        3.118   1.106   0.554  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1        4.505   0.079  -0.978  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1        4.798  -1.011  -1.764  0.00  0.00    +0.123 A 
ATOM     12  N   LIG    1        5.938  -1.113  -2.503  0.00  0.00    -0.251 NA
ATOM     13  C   LIG    1        6.811  -0.086  -2.447  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        6.602   1.048  -1.683  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.862  -2.148  -1.837  0.00  0.00    +0.225 C 
ATOM     16  O   LIG    1        4.145  -3.153  -2.483  0.00  0.00    -0.284 OA
ATOM     17  C   LIG    1        5.430   1.130  -0.936  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        2.571  -2.018  -1.103  0.00  0.00    +0.114 C 
ATOM     19 CL   LIG    1        1.456  -3.321  -1.421  0.00  0.00    -0.077 Cl
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.708  -1.139   2.186  0.00  0.00    +0.022 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.921  -0.211   2.101  0.00  0.00    +0.104 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.898   1.428   0.531  0.00  0.00    +0.282 C 
ATOM     23  N   LIG    1       -4.159   0.273   0.758  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -4.157  -0.401  -0.003  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1       -5.249   2.182   1.437  0.00  0.00    -0.269 OA
BRANCH  22  27
ATOM     26  C   LIG    1       -4.285   2.809  -1.470  0.00  0.00    +0.095 C 
ATOM     27  C   LIG    1       -5.179   1.700  -0.957  0.00  0.00    +0.320 C 
ATOM     28  F   LIG    1       -4.944   0.582  -1.714  0.00  0.00    -0.196 F 
ATOM     29  F   LIG    1       -6.480   2.034  -1.185  0.00  0.00    -0.196 F 
ENDBRANCH  22  27
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5