REMARK  Name = BDB051418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.158   0.927  -0.247  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.437   1.162   0.927  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.887   0.736   1.051  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.511   0.061  -0.002  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -0.790  -0.168  -1.180  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.537   0.261  -1.301  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        2.441   1.397  -0.221  0.00  0.00    -0.477 OA
BRANCH   7   8
ATOM      8  C   LIG    1        3.307   1.132  -1.335  0.00  0.00    +0.285 C 
BRANCH   8  10
ATOM      9  O   LIG    1        5.270   2.287  -2.200  0.00  0.00    -0.247 OA
ATOM     10  C   LIG    1        4.413   2.188  -1.331  0.00  0.00    +0.346 C 
BRANCH  10  11
ATOM     11  O   LIG    1        4.356   3.027  -0.267  0.00  0.00    -0.478 OA
ATOM     12  H   LIG    1        3.617   2.754   0.320  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   8  10
BRANCH   8  13
ATOM     13  C   LIG    1        3.925  -0.274  -1.280  0.00  0.00    +0.091 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.682  -0.573  -0.004  0.00  0.00    -0.043 A 
ATOM     15  C   LIG    1        6.055  -0.305   0.089  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        6.746  -0.562   1.274  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.075  -1.089   2.375  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.711  -1.360   2.293  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.017  -1.103   1.110  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1       -2.947  -0.386   0.117  0.00  0.00    +0.040 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.918   0.699  -0.359  0.00  0.00    +0.040 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.353   0.250  -0.240  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1       -5.978  -0.421  -1.300  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -7.300  -0.853  -1.182  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -8.007  -0.622  -0.003  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.393   0.040   1.058  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.071   0.472   0.942  0.00  0.00    +0.003 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9