REMARK  Name = BDB051760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.741  -0.308  -1.881  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.840  -1.040  -2.879  0.00  0.00    +0.047 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -0.523  -1.445  -2.327  0.00  0.00    +0.263 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -1.181  -0.299  -1.793  0.00  0.00    -0.394 OA
BRANCH   4   6
ATOM      5  C   LIG    1       -3.048   0.286  -0.711  0.00  0.00    +0.084 C 
ATOM      6  N   LIG    1       -2.421  -0.703  -1.280  0.00  0.00    -0.089 NA
ATOM      7  C   LIG    1       -2.467   1.682  -0.601  0.00  0.00    +0.069 C 
BRANCH   5  11
ATOM      8  C   LIG    1       -6.955  -0.507   0.930  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -6.658   0.754   0.381  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1       -5.383   1.029  -0.130  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -4.404   0.035  -0.144  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.707  -1.234   0.358  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -5.970  -1.501   0.899  0.00  0.00    +0.050 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -8.478  -1.910   2.122  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -8.198  -0.674   1.478  0.00  0.00    -0.491 OA
ENDBRANCH   8  15
BRANCH   9  16
ATOM     16  O   LIG    1       -7.523   1.821   0.353  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1       -8.799   1.511  -0.204  0.00  0.00    +0.277 C 
ENDBRANCH   9  16
ENDBRANCH   5  11
ENDBRANCH   4   6
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        2.010  -1.097  -0.604  0.00  0.00    +0.263 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.975  -0.406   0.192  0.00  0.00    -0.394 OA
BRANCH  19  20
ATOM     20  N   LIG    1        4.261  -0.805  -0.200  0.00  0.00    -0.089 NA
ATOM     21  C   LIG    1        5.196  -0.192   0.468  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.983   0.867   1.490  0.00  0.00    -0.001 A 
ATOM     23  C   LIG    1        4.252   2.014   1.166  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        4.082   3.021   2.117  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.648   2.884   3.385  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.383   1.742   3.706  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.555   0.731   2.758  0.00  0.00    +0.010 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1        6.639  -0.600   0.209  0.00  0.00    +0.070 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.888  -0.864  -1.273  0.00  0.00    +0.127 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.341  -1.156  -1.547  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1        9.242  -1.097  -0.725  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.560  -1.494  -2.839  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1        7.749  -1.482  -3.385  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 15