REMARK  Name = BDB009885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.114  -1.103  -1.173  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1       -0.294  -0.048  -0.207  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        0.862   0.926   0.191  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        2.274   0.329   0.142  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        2.360  -1.188  -0.052  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        3.812  -1.494  -0.509  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.405  -1.636  -1.157  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        1.754  -2.562  -1.895  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1        0.635   1.669   1.509  0.00  0.00    -0.038 A 
ATOM     10  C   LIG    1        0.277   1.013   2.698  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        0.087   1.736   3.881  0.00  0.00    +0.044 A 
ATOM     12 CL   LIG    1       -0.354   0.907   5.323  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        0.252   3.115   3.906  0.00  0.00    +0.058 A 
ATOM     14  C   LIG    1        0.611   3.766   2.736  0.00  0.00    +0.125 A 
ATOM     15  F   LIG    1        0.778   5.095   2.745  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        0.805   3.063   1.549  0.00  0.00    +0.042 A 
ENDBRANCH   3   9
BRANCH   2  17
ATOM     17  C   LIG    1       -1.466   0.827  -0.669  0.00  0.00    -0.026 A 
ATOM     18  C   LIG    1       -1.428   1.526  -1.887  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -2.484   2.359  -2.265  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.582   2.510  -1.424  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -4.882   3.536  -1.891  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -3.633   1.840  -0.205  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.578   1.006   0.174  0.00  0.00    +0.007 A 
ENDBRANCH   2  17
BRANCH   1  25
ATOM     24  C   LIG    1       -1.032  -1.574  -3.352  0.00  0.00    +0.028 C 
ATOM     25  C   LIG    1       -0.889  -1.958  -1.878  0.00  0.00    +0.071 C 
ATOM     26  C   LIG    1       -2.253  -2.128  -1.207  0.00  0.00    +0.028 C 
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1        2.125  -1.980   1.257  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.913  -2.880   1.318  0.00  0.00    +0.306 C 
ATOM     29  O   LIG    1       -0.038  -2.657   2.054  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        0.966  -3.957   0.512  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        1.703  -3.970  -0.137  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6