REMARK  Name = BDB056247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.612   0.458   0.626  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   1   3
ATOM      2  N   LIG    1        5.929   1.153   0.163  0.00  0.00    -0.183 N 
ATOM      3  C   LIG    1        4.967   0.924   1.128  0.00  0.00    +0.238 C 
ATOM      4  O   LIG    1        5.216   1.119   2.319  0.00  0.00    -0.274 OA
BRANCH   2   5
ATOM      5  O   LIG    1        7.210   1.463   0.690  0.00  0.00    -0.292 OA
ATOM      6  H   LIG    1        7.030   1.502   1.656  0.00  0.00    +0.242 HD
ENDBRANCH   2   5
BRANCH   2   7
ATOM      7  C   LIG    1        6.025   0.561  -1.171  0.00  0.00    +0.151 C 
BRANCH   7   8
ATOM      8  C   LIG    1        6.500  -0.885  -1.146  0.00  0.00    +0.142 C 
BRANCH   8  10
ATOM      9  O   LIG    1        8.805  -0.461  -1.779  0.00  0.00    -0.251 OA
ATOM     10  C   LIG    1        7.992  -0.950  -1.012  0.00  0.00    +0.306 C 
BRANCH  10  11
ATOM     11  O   LIG    1        8.391  -1.660   0.059  0.00  0.00    -0.481 OA
ATOM     12  H   LIG    1        9.369  -1.590   0.040  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1        2.599   0.305   1.761  0.00  0.00    +0.009 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.260  -0.287   1.309  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.474   0.634   0.372  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.866   0.044  -0.082  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.899  -0.057   1.044  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.238  -0.649   0.591  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.016   0.261  -0.365  0.00  0.00    +0.003 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.371  -0.329  -0.763  0.00  0.00    -0.011 C 
ATOM     21  C   LIG    1       -6.128   0.560  -1.749  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -7.546   0.010  -1.705  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -7.741  -0.510  -0.281  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -6.368  -0.458   0.388  0.00  0.00    +0.003 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 14