REMARK  Name = BDB062375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.803  -1.228   0.139  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.394  -1.954   1.191  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        1.890  -1.820   2.487  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.809  -0.971   2.741  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.209  -0.239   1.708  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        0.721  -0.380   0.407  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   2   7
ATOM      7  O   LIG    1        3.455  -2.756   0.849  0.00  0.00    -0.491 OA
ATOM      8  C   LIG    1        4.054  -3.531   1.878  0.00  0.00    +0.277 C 
ENDBRANCH   2   7
BRANCH   1   9
ATOM      9  O   LIG    1        2.362  -1.410  -1.101  0.00  0.00    -0.488 OA
BRANCH   9  10
ATOM     10  C   LIG    1        1.781  -0.782  -2.241  0.00  0.00    +0.231 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.302   0.638  -2.439  0.00  0.00    +0.069 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.824   0.686  -2.516  0.00  0.00    +0.163 C 
BRANCH  12  14
ATOM     13  C   LIG    1        5.626   2.165  -2.856  0.00  0.00    +0.193 C 
ATOM     14  O   LIG    1        4.212   2.035  -2.786  0.00  0.00    -0.383 OA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   5  15
ATOM     15  C   LIG    1       -0.952   0.673   2.049  0.00  0.00    +0.143 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.555   1.379   0.905  0.00  0.00    -0.292 N 
ATOM     17  C   LIG    1       -2.559   0.810   0.100  0.00  0.00    +0.246 C 
ATOM     18  O   LIG    1       -3.019   1.379  -0.896  0.00  0.00    -0.273 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -3.134  -0.572   0.500  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1       -3.505  -1.348  -0.657  0.00  0.00    -0.365 OA
ATOM     21  C   LIG    1       -4.905  -1.270  -0.937  0.00  0.00    +0.176 C 
ATOM     22  C   LIG    1       -5.720  -1.855   0.231  0.00  0.00    +0.109 C 
ATOM     23  N   LIG    1       -5.202  -1.522   1.576  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -4.634  -2.315   1.883  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -4.317  -0.348   1.476  0.00  0.00    +0.122 C 
ENDBRANCH  17  19
BRANCH  16  26
ATOM     26  C   LIG    1       -0.930   2.664   0.592  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1       -0.679   3.162  -0.804  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -1.690   3.852   0.071  0.00  0.00    +0.024 C 
ENDBRANCH  16  26
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 10