REMARK  Name = BDB031515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.734   1.031  -1.405  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.632   1.182  -2.367  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        0.620   1.445  -1.509  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1        0.067   1.692  -0.104  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1       -1.414   1.954  -0.316  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -3.043   1.272  -2.017  0.00  0.00    +0.121 C 
BRANCH   6  17
ATOM      7  C   LIG    1       -8.752  -1.450   2.874  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -7.606  -1.096   1.981  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -6.562  -2.155   1.785  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -6.645  -3.251   2.329  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -5.506  -1.844   0.967  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1       -4.808  -2.565   0.845  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1       -5.372  -0.606   0.328  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -6.340   0.380   0.509  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1       -6.288   1.599  -0.069  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -5.217   1.839  -0.861  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       -4.191   0.925  -1.103  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1       -4.285  -0.333  -0.492  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -7.483   0.095   1.370  0.00  0.00    +0.038 A 
ENDBRANCH   6  17
ENDBRANCH   1   6
BRANCH   3  20
ATOM     20  O   LIG    1        1.463   0.290  -1.543  0.00  0.00    -0.486 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.756   0.407  -1.126  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        3.378   1.556  -0.649  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        4.716   1.503  -0.261  0.00  0.00    +0.157 A 
ATOM     24  F   LIG    1        5.291   2.623   0.194  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        5.398   0.298  -0.361  0.00  0.00    +0.161 A 
ATOM     26  N   LIG    1        4.820  -0.852  -0.824  0.00  0.00    -0.244 NA
ATOM     27  C   LIG    1        3.518  -0.759  -1.189  0.00  0.00    +0.157 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.834   0.185   0.040  0.00  0.00    +0.265 C 
ATOM     29  N   LIG    1        7.352  -1.089  -0.114  0.00  0.00    -0.307 N 
ATOM     30  H   LIG    1        6.715  -1.794  -0.478  0.00  0.00    +0.149 HD
ATOM     31  O   LIG    1        7.479   1.139   0.460  0.00  0.00    -0.268 OA
BRANCH  29  32
ATOM     32  C   LIG    1        8.692  -1.435   0.219  0.00  0.00    +0.073 C 
ATOM     33  C   LIG    1        9.147  -2.868   0.181  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1        8.994  -2.165   1.498  0.00  0.00    +0.024 C 
ENDBRANCH  29  32
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6