REMARK  Name = BDB040362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.188   1.300   1.438  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.123   0.777   0.086  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.518   1.176  -0.449  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.576   0.663   0.441  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        2.228   0.554   1.870  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        1.045   1.482   2.234  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.870   0.453  -0.002  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.339   0.960  -1.220  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        5.647   0.732  -1.647  0.00  0.00    +0.156 A 
ATOM     10  F   LIG    1        6.037   1.248  -2.820  0.00  0.00    -0.203 F 
ATOM     11  C   LIG    1        6.489  -0.016  -0.843  0.00  0.00    +0.160 A 
ATOM     12  N   LIG    1        6.097  -0.542   0.354  0.00  0.00    -0.246 NA
ATOM     13  C   LIG    1        4.813  -0.293   0.724  0.00  0.00    +0.134 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.905  -0.292  -1.243  0.00  0.00    +0.265 C 
ATOM     15  N   LIG    1        8.591  -1.098  -0.353  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.103  -1.329   0.508  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.995  -1.372  -0.490  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.408   0.167  -2.260  0.00  0.00    -0.268 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.166   0.456   2.137  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.894  -0.544  -0.804  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -6.179  -1.859  -0.710  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -6.668  -2.897  -1.146  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -4.945  -1.859  -0.111  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -4.481  -2.755  -0.055  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.338  -0.702   0.390  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -4.992   0.524   0.293  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -4.480   1.686   0.747  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -3.256   1.615   1.322  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.519   0.438   1.470  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.084  -0.748   0.988  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -6.308   0.572  -0.334  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -9.342  -1.054  -0.552  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.242  -0.538  -1.470  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5