REMARK  Name = BDB065216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.425   0.361  -1.792  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.151   1.597  -1.209  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.012   1.768  -0.449  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.920   0.713  -0.272  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -1.643  -0.517  -0.885  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.482  -0.689  -1.642  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.147   0.900   0.520  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1       -3.262   0.452   1.869  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -4.487   0.657   2.556  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -4.629   0.221   3.885  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.579  -0.410   4.550  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.371  -0.613   3.896  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.555   1.296   1.909  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -5.433   1.738   0.595  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -2.215  -0.187   2.575  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -4.240   1.541  -0.092  0.00  0.00    +0.009 A 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  O   LIG    1        1.508   0.089  -2.584  0.00  0.00    -0.477 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.728   0.785  -2.269  0.00  0.00    +0.285 C 
BRANCH  18  20
ATOM     19  O   LIG    1        3.803   2.784  -3.145  0.00  0.00    -0.247 OA
ATOM     20  C   LIG    1        2.913   1.950  -3.239  0.00  0.00    +0.346 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.998   1.975  -4.240  0.00  0.00    -0.478 OA
ATOM     22  H   LIG    1        1.360   1.234  -4.138  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
BRANCH  18  23
ATOM     23  C   LIG    1        3.902  -0.184  -2.466  0.00  0.00    +0.091 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.039  -1.147  -1.309  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1        4.885  -0.842  -0.233  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.997  -1.717   0.849  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.265  -2.903   0.866  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.419  -3.214  -0.197  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.305  -2.341  -1.280  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7