REMARK  Name = BDB056786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.847   1.265  -1.223  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.213   0.276  -0.384  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1       -1.122  -0.054  -0.404  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.244  -1.038   0.573  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -2.497  -1.618   0.822  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -3.602  -1.186   0.078  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -3.459  -0.182  -0.884  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.035  -1.296   1.163  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1       -2.212   0.391  -1.163  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        0.839  -0.509   0.563  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1       -4.517   0.244  -1.660  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.681   0.587  -1.009  0.00  0.00    +0.128 A 
ATOM     13  C   LIG    1       -5.704   1.388   0.136  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -6.926   1.725   0.721  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -8.119   1.275   0.155  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -8.095   0.494  -1.000  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -6.875   0.156  -1.587  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  18
ATOM     18  C   LIG    1        2.301  -0.444   0.876  0.00  0.00    +0.303 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.007  -0.656  -0.347  0.00  0.00    -0.484 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.373  -0.638  -0.291  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        5.146  -0.393   0.845  0.00  0.00    +0.060 A 
ATOM     22  C   LIG    1        6.547  -0.400   0.757  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1        7.172  -0.653  -0.470  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        6.399  -0.898  -1.604  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.007  -0.889  -1.511  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        7.324  -0.130   1.991  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1        6.853   0.127   3.083  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        8.653  -0.193   1.799  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        9.029  -0.003   2.684  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  10  18
TORSDOF 7