REMARK  Name = BDB040687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.839  -0.446   0.454  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        5.073   0.714   0.337  0.00  0.00    +0.132 A 
ATOM      3  F   LIG    1        5.615   1.828  -0.172  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        3.730   0.751   0.717  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        3.098  -0.389   1.223  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        3.856  -1.556   1.347  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        5.197  -1.577   0.962  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1        5.875  -2.728   1.078  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1        8.445   2.281  -2.798  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        8.132   1.412  -1.988  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1        8.509   1.502  -0.673  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        9.017   2.339  -0.421  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        8.098   0.720   0.379  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        8.353   1.049   1.537  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        7.293  -0.529   0.044  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        7.482  -0.935  -1.421  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        7.266   0.236  -2.366  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  N   LIG    1        1.747  -0.354   1.619  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1        0.725   0.545   1.154  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1       -0.298  -0.415   1.793  0.00  0.00    +0.111 C 
ATOM     21  C   LIG    1        0.834  -1.456   1.715  0.00  0.00    +0.129 C 
BRANCH  20  22
ATOM     22  N   LIG    1       -1.488  -0.725   0.982  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1       -1.746  -1.670   0.735  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1       -2.361   0.231   0.556  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1       -2.248   1.429   0.765  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -3.364  -0.364  -0.132  0.00  0.00    -0.450 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.370   0.517  -0.661  0.00  0.00    +0.237 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.455   0.737   0.387  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1       -6.343  -0.498   0.726  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -7.414   0.110  -0.139  0.00  0.00    -0.029 C 
ATOM     31  C   LIG    1       -8.861   0.016   0.275  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -9.197  -0.088  -1.234  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1       -7.729  -0.520  -1.479  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -6.735   1.460  -0.127  0.00  0.00    +0.013 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  20  22
ENDBRANCH   5  18
TORSDOF 6