REMARK  Name = BDB050538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.837  -2.125   0.856  0.00  0.00    +0.007 C 
ATOM      2  C   LIG    1       -0.267  -1.990   1.603  0.00  0.00    +0.006 C 
ATOM      3  C   LIG    1       -1.025  -0.786   2.093  0.00  0.00    +0.049 C 
ATOM      4  C   LIG    1       -2.056  -1.381   3.019  0.00  0.00    -0.015 C 
ATOM      5  C   LIG    1       -2.038  -2.719   3.055  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -0.958  -3.183   2.170  0.00  0.00    +0.182 C 
ATOM      7  O   LIG    1       -0.681  -4.350   1.967  0.00  0.00    -0.288 OA
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        2.695  -1.237  -0.461  0.00  0.00    -0.027 C 
ATOM      9  C   LIG    1        1.625  -1.037   0.324  0.00  0.00    -0.004 C 
BRANCH   8  10
ATOM     10  C   LIG    1        3.536  -0.128  -1.026  0.00  0.00    +0.027 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.974  -0.205  -0.510  0.00  0.00    +0.004 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.835   0.917  -1.095  0.00  0.00    +0.000 C 
BRANCH  12  14
ATOM     13  C   LIG    1        8.130   1.955  -1.159  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        7.272   0.842  -0.580  0.00  0.00    -0.003 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -1.678   0.079   0.990  0.00  0.00    +0.039 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.612  -0.653   0.059  0.00  0.00    -0.030 C 
ATOM     17  C   LIG    1       -3.941  -0.499  -0.051  0.00  0.00    -0.031 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.824   0.405   0.761  0.00  0.00    +0.027 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.148   1.727   0.056  0.00  0.00    +0.015 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.885   1.580  -1.273  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -7.249   0.963  -1.097  0.00  0.00    +0.305 C 
ATOM     22  O   LIG    1       -7.498  -0.214  -1.305  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -8.180   1.837  -0.656  0.00  0.00    -0.481 OA
ATOM     24  H   LIG    1       -7.846   2.746  -0.536  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 12