REMARK  Name = BDB036231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.051   1.115  -0.166  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.913   1.762   1.149  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.759   1.138   1.966  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.563   1.165   1.292  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.424   1.123  -0.180  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.859   0.441  -0.704  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.750  -0.108  -1.595  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.284  -0.743  -0.484  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        4.055  -0.365  -0.001  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1        3.285   0.654  -0.593  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        3.818   1.259  -1.744  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.056   0.887  -2.256  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.042  -1.970  -1.579  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        7.696  -1.524  -1.338  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        7.216  -1.786  -0.482  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.099  -0.537  -2.094  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.607  -0.029  -3.086  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
BRANCH   9  18
ATOM     18  C   LIG    1        3.570  -1.148   1.199  0.00  0.00    +0.391 C 
ATOM     19  F   LIG    1        2.325  -1.691   1.052  0.00  0.00    -0.202 F 
ATOM     20  F   LIG    1        3.531  -0.426   2.356  0.00  0.00    -0.202 F 
ENDBRANCH   9  18
ENDBRANCH   1  10
BRANCH   4  21
ATOM     21  C   LIG    1       -1.419   0.096   1.829  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.886   0.266   1.462  0.00  0.00    -0.028 A 
ATOM     23  C   LIG    1       -3.605  -0.606   0.608  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -2.966  -1.802  -0.051  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1       -4.978  -0.343   0.378  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1       -5.625   0.771   0.948  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -6.983   1.068   0.729  0.00  0.00    -0.245 NA
ATOM     28  C   LIG    1       -7.670   0.266  -0.029  0.00  0.00    +0.103 A 
ATOM     29  C   LIG    1       -7.075  -0.977  -0.676  0.00  0.00    +0.270 A 
ATOM     30  O   LIG    1       -7.765  -1.712  -1.369  0.00  0.00    -0.266 OA
ATOM     31  C   LIG    1       -9.122   0.532  -0.297  0.00  0.00    +0.071 C 
ATOM     32  C   LIG    1       -4.898   1.624   1.771  0.00  0.00    +0.030 A 
ATOM     33  N   LIG    1       -5.745  -1.197  -0.432  0.00  0.00    -0.319 N 
ATOM     34  H   LIG    1       -5.351  -2.030  -0.844  0.00  0.00    +0.169 HD
ATOM     35  C   LIG    1       -3.551   1.375   2.026  0.00  0.00    +0.007 A 
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 5