REMARK  Name = BDB057846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.239  -0.708  -0.361  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.701  -1.753  -1.182  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -2.092  -1.903  -1.237  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.623  -2.922  -2.018  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.810  -3.791  -2.753  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.431  -3.640  -2.715  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -2.931  -1.106  -0.573  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1       -2.396  -0.113   0.146  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1        0.124  -2.627  -1.937  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -1.081   0.111   0.290  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.321   0.769   0.879  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -4.555   1.216   0.343  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -5.403   2.024   1.133  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -5.039   2.411   2.421  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.822   2.000   2.945  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.977   1.191   2.183  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -4.998   0.868  -1.063  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -5.506  -0.389  -1.179  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -6.000   1.691  -1.506  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -4.017   0.994  -2.000  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1        1.150  -0.490  -0.237  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.601  -1.357   0.039  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.524   0.604   0.649  0.00  0.00    +0.138 C 
BRANCH  23  27
ATOM     24  C   LIG    1        5.852   0.805   0.808  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        5.160   1.196  -0.347  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        3.765   1.135  -0.392  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        3.034   0.679   0.714  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        3.725   0.273   1.863  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        5.121   0.334   1.909  0.00  0.00    +0.013 A 
BRANCH  24  31
ATOM     30  F   LIG    1        7.852   1.078   2.101  0.00  0.00    -0.166 F 
ATOM     31  C   LIG    1        7.359   0.848   0.851  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        7.923  -0.321   0.438  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.892   1.821   0.059  0.00  0.00    -0.166 F 
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6