REMARK  Name = BDB018586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.975   1.591  -6.405  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        2.082   1.057  -5.056  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        3.026   0.074  -4.788  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        3.810  -0.395  -5.608  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        3.067  -0.417  -3.388  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        2.217   0.054  -2.457  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1        1.218   1.071  -2.821  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        1.207   1.523  -4.089  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.391  -0.479  -1.093  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.004   0.279  -0.096  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1        3.176  -0.134   1.182  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        2.712  -1.365   1.483  0.00  0.00    +0.215 A 
ATOM     13  C   LIG    1        2.084  -2.196   0.570  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        1.924  -1.746  -0.739  0.00  0.00    +0.015 A 
BRANCH  12  15
ATOM     15  O   LIG    1        2.834  -1.851   2.769  0.00  0.00    -0.474 OA
BRANCH  15  16
ATOM     16  C   LIG    1        3.575  -0.979   3.630  0.00  0.00    +0.264 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.654  -1.614   5.008  0.00  0.00    +0.254 C 
ATOM     18  F   LIG    1        4.544  -2.646   4.981  0.00  0.00    -0.246 F 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1        0.281   1.569  -1.861  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -0.662   0.831  -1.181  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -1.321   1.687  -0.325  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1       -0.899   2.971  -0.527  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1        0.081   2.883  -1.424  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -2.343   1.427   0.649  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1       -2.717   0.141   1.106  0.00  0.00    +0.081 A 
ATOM     26  C   LIG    1       -3.778  -0.013   2.048  0.00  0.00    -0.025 A 
ATOM     27  C   LIG    1       -4.403   1.147   2.544  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.023   2.414   2.121  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.005   2.552   1.183  0.00  0.00    +0.029 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -4.221  -1.372   2.571  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -4.856  -2.371   1.628  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -5.690  -1.716   2.683  0.00  0.00    +0.009 C 
ENDBRANCH  26  30
BRANCH  25  33
ATOM     33  C   LIG    1       -2.033  -1.062   0.723  0.00  0.00    +0.102 C 
ATOM     34  N   LIG    1       -1.500  -2.050   0.422  0.00  0.00    -0.191 NA
ENDBRANCH  25  33
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 8