REMARK  Name = BDB047396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.294   0.963  -0.625  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.529   0.398  -1.728  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1       -1.114   0.340  -1.756  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -0.500  -0.242  -2.881  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.256  -0.779  -3.924  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.642  -0.734  -3.870  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -3.278  -0.147  -2.777  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -3.071   0.995  -0.618  0.00  0.00    -0.492 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -4.478   1.224  -0.549  0.00  0.00    +0.229 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.223   0.033   0.056  0.00  0.00    +0.041 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.637  -0.493   1.372  0.00  0.00    +0.003 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -4.128  -0.053   3.799  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -4.620   0.548   2.491  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  O   LIG    1       -0.747   0.517   0.657  0.00  0.00    -0.387 OA
ATOM     15  H   LIG    1       -1.721   0.502   0.604  0.00  0.00    +0.210 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1        1.237   0.792  -0.646  0.00  0.00    +0.036 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.717  -0.624  -0.288  0.00  0.00    +0.003 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.222  -0.820  -0.497  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.081   0.028   0.444  0.00  0.00    +0.001 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.569  -0.281   0.265  0.00  0.00    +0.011 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.426   0.554   1.215  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1        7.900   0.270   1.044  0.00  0.00    +0.305 C 
ATOM     23  O   LIG    1        8.385  -0.496   0.227  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        8.661   0.977   1.912  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1        8.144   1.551   2.508  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 15