REMARK  Name = BDB065352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.181  -0.474  -1.413  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -2.043  -0.963  -2.405  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -3.343  -0.464  -2.539  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -3.811   0.538  -1.681  0.00  0.00    -0.028 A 
ATOM      5  C   LIG    1       -2.953   1.029  -0.688  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -1.652   0.529  -0.556  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        2.203  -1.440  -0.739  0.00  0.00    -0.251 N 
ATOM      8  N   LIG    1        1.896  -2.286  -1.736  0.00  0.00    -0.065 NA
ATOM      9  N   LIG    1        0.644  -2.034  -2.092  0.00  0.00    -0.130 NA
ATOM     10  C   LIG    1        0.163  -1.017  -1.302  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        1.154  -0.628  -0.427  0.00  0.00    +0.138 A 
BRANCH   7  12
ATOM     12  C   LIG    1        3.518  -1.467  -0.134  0.00  0.00    +0.146 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.526  -0.639  -0.933  0.00  0.00    +0.034 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.931  -0.689  -0.336  0.00  0.00    +0.122 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.051   0.098   0.949  0.00  0.00    +0.307 C 
ATOM     16  O   LIG    1        5.125   0.656   1.520  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1        7.343   0.077   1.378  0.00  0.00    -0.465 OA
BRANCH  17  19
ATOM     18  C   LIG    1        9.044   0.688   2.941  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        7.572   0.797   2.596  0.00  0.00    +0.229 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  C   LIG    1       -5.220   1.073  -1.807  0.00  0.00    +0.161 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -6.100   0.583  -0.748  0.00  0.00    -0.295 N 
ATOM     22  C   LIG    1       -6.380   1.420   0.337  0.00  0.00    +0.350 A 
ATOM     23  O   LIG    1       -5.907   2.552   0.410  0.00  0.00    -0.244 OA
ATOM     24  N   LIG    1       -7.201   0.943   1.332  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1       -7.677  -0.260   1.257  0.00  0.00    +0.123 A 
ATOM     26  C   LIG    1       -7.390  -1.179   0.139  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1       -6.605  -0.696  -0.820  0.00  0.00    +0.094 A 
BRANCH  25  28
ATOM     28  N   LIG    1       -8.479  -0.674   2.284  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       -8.419  -0.045   3.080  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -8.407  -1.648   2.551  0.00  0.00    +0.144 HD
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 10