REMARK  Name = BDB060793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.196  -0.237   0.229  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -1.179  -0.689   0.779  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1       -2.356   0.257   0.726  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -2.782   0.552   2.023  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.836   1.401   2.287  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -4.494   1.969   1.195  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.092   1.670  -0.118  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1       -2.011  -0.124   2.952  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1       -2.121  -0.083   3.954  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -3.021   0.804  -0.362  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -1.034  -0.894   2.337  0.00  0.00    +0.243 C 
ATOM     12  O   LIG    1       -0.211  -1.591   2.913  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -1.501  -1.999   0.159  0.00  0.00    -0.288 NA
ATOM     14  H   LIG    1       -2.001  -1.842  -0.719  0.00  0.00    +0.124 HD
ATOM     15  C   LIG    1       -0.178  -2.628  -0.152  0.00  0.00    +0.168 C 
ATOM     16  C   LIG    1        0.663  -1.434  -0.643  0.00  0.00    +0.058 C 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1        2.167  -1.631  -0.584  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1        2.818  -2.038   0.592  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.206  -2.200   0.617  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.955  -1.954  -0.530  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1        6.663  -2.151  -0.496  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        4.328  -1.544  -1.703  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        2.941  -1.381  -1.730  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
BRANCH   1  27
ATOM     24  C   LIG    1        0.293   4.585  -1.588  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1        0.224   3.123  -1.349  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        0.346   2.398  -0.137  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1        0.197   1.073  -0.502  0.00  0.00    +0.174 A 
ATOM     28  O   LIG    1       -0.015   1.024  -1.848  0.00  0.00    -0.357 OA
ATOM     29  N   LIG    1        0.005   2.294  -2.378  0.00  0.00    -0.081 NA
BRANCH  26  30
ATOM     30  N   LIG    1        0.554   2.907   1.180  0.00  0.00    +0.062 N 
ATOM     31  O   LIG    1        0.791   4.115   1.287  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1        0.474   2.103   2.116  0.00  0.00    -0.126 OA
ENDBRANCH  26  30
ENDBRANCH   1  27
BRANCH  15  33
ATOM     33  C   LIG    1       -0.216  -3.763  -1.199  0.00  0.00    +0.405 C 
ATOM     34  F   LIG    1       -0.971  -4.800  -0.774  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1        1.014  -4.243  -1.473  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1       -0.754  -3.320  -2.362  0.00  0.00    -0.169 F 
ENDBRANCH  15  33
TORSDOF 4