REMARK  Name = BDB014577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.649   2.816  -1.693  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        1.629   2.962  -2.729  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1        1.145   3.104  -3.560  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.339   2.922  -0.319  0.00  0.00    +0.136 C 
BRANCH   4   7
ATOM      5  O   LIG    1       -0.648   4.507   0.943  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -0.500   3.335   1.277  0.00  0.00    +0.239 C 
ATOM      7  N   LIG    1        0.500   2.517   0.792  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        0.305   1.521   0.842  0.00  0.00    +0.149 HD
BRANCH   6   9
ATOM      9  C   LIG    1       -1.412   2.625   2.276  0.00  0.00    +0.255 C 
BRANCH   9  10
ATOM     10  O   LIG    1       -1.879   1.416   1.673  0.00  0.00    -0.365 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -2.603   0.590   2.572  0.00  0.00    +0.147 C 
ATOM     12  C   LIG    1       -1.713  -0.328   3.402  0.00  0.00    +0.191 C 
ATOM     13  O   LIG    1       -2.419  -1.564   3.591  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1       -3.608  -1.528   2.790  0.00  0.00    +0.162 C 
ATOM     15  C   LIG    1       -3.430  -0.407   1.793  0.00  0.00    +0.062 C 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.160   1.503  -1.898  0.00  0.00    +0.117 C 
BRANCH  16  17
ATOM     17  N   LIG    1        0.472   0.266  -1.389  0.00  0.00    -0.295 NA
ATOM     18  C   LIG    1        1.681  -0.090  -2.158  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1        2.270  -1.433  -1.768  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        1.491  -2.404  -1.114  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1        2.046  -3.653  -0.804  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.363  -3.945  -1.158  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.137  -2.990  -1.814  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        0.081  -2.076  -0.693  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1        3.593  -1.742  -2.121  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -0.483  -0.856  -1.431  0.00  0.00    +0.089 C 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8