REMARK  Name = BDB042517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.665   1.508   1.236  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.168   0.387   1.131  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.975   0.157   0.368  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        1.654   1.337  -0.192  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        2.513   1.010  -1.428  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1        3.407  -0.146  -1.192  0.00  0.00    -0.325 N 
ATOM      7  C   LIG    1        2.653  -1.339  -0.746  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        1.828  -1.032   0.520  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.700   0.034  -0.690  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        5.202   1.243  -0.161  0.00  0.00    +0.147 A 
ATOM     11  F   LIG    1        4.425   2.332  -0.064  0.00  0.00    -0.203 F 
ATOM     12  C   LIG    1        6.509   1.372   0.311  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        7.362   0.286   0.247  0.00  0.00    +0.126 A 
ATOM     14  F   LIG    1        8.619   0.401   0.695  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        6.932  -0.918  -0.286  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        5.618  -1.036  -0.754  0.00  0.00    +0.029 A 
ENDBRANCH   6   9
BRANCH   2  17
ATOM     17  C   LIG    1       -0.773  -0.819   1.837  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.121  -0.513   2.497  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.259  -0.468   1.504  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -3.747  -1.673   1.054  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -3.352  -2.543   1.391  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -4.781  -1.827   0.153  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -5.143  -2.945  -0.192  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.401  -0.579  -0.351  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1       -4.909   0.651   0.114  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1       -5.479   1.844  -0.351  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -6.530   1.810  -1.270  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -7.015   0.585  -1.728  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -6.450  -0.604  -1.268  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -6.947  -1.757  -1.736  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -3.806   0.680   1.077  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 4