REMARK  Name = BDB032824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.023  -1.668  -1.198  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.832  -1.208  -0.185  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.066  -0.712  -0.561  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.143  -0.178   0.281  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        4.141   0.263  -0.576  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.867  -0.098  -1.960  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        3.125  -0.161   1.496  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.485  -0.654  -1.888  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        1.654  -1.097  -2.900  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.394  -1.599  -2.549  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.480   0.653  -0.145  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.320  -0.574   0.241  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        6.187  -1.680  -0.282  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.340  -0.348   1.137  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.914  -1.149   1.363  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.743   0.850   1.671  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        8.764   0.928   2.348  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.924   2.065   1.306  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        5.488   1.686   0.981  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -1.390  -2.201  -0.847  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.239  -1.081  -0.586  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -4.217  -0.273  -0.053  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1       -3.652   0.562  -0.133  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -3.520  -1.422  -0.294  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1       -3.929  -2.572  -0.265  0.00  0.00    -0.226 OA
BRANCH  22  29
ATOM     26  C   LIG    1       -7.868   2.822   1.073  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -7.387   1.423   0.824  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -6.045   1.179   0.490  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1       -5.573  -0.128   0.285  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -6.456  -1.197   0.427  0.00  0.00    +0.061 A 
ATOM     31  C   LIG    1       -7.782  -0.954   0.771  0.00  0.00    +0.125 A 
ATOM     32  F   LIG    1       -8.625  -1.986   0.913  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -8.253   0.338   0.975  0.00  0.00    +0.041 A 
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5