REMARK  Name = BDB047310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.864   0.484  -0.952  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -0.501   1.091   0.268  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1       -1.477   1.652   1.115  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -2.834   1.522   0.761  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -3.217   0.836  -0.391  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -2.230   0.318  -1.233  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.648   0.640  -0.778  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1       -4.932  -0.199  -1.632  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -5.733   1.463  -0.115  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -6.343   0.717   1.058  0.00  0.00    +0.012 C 
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1        0.169  -0.001  -1.949  0.00  0.00    +0.038 C 
BRANCH  11  13
ATOM     12  C   LIG    1        1.040  -0.048  -4.315  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -0.116   0.367  -3.413  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  O   LIG    1        0.829   1.198   0.610  0.00  0.00    -0.472 OA
BRANCH  14  15
ATOM     15  C   LIG    1        1.301   0.037   1.328  0.00  0.00    +0.311 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.321  -0.711   0.481  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        3.404  -0.036  -0.104  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        4.329  -0.722  -0.890  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        4.202  -2.099  -1.096  0.00  0.00    -0.048 A 
ATOM     20  C   LIG    1        3.131  -2.779  -0.505  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.202  -2.093   0.280  0.00  0.00    +0.008 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.185  -2.833  -1.967  0.00  0.00    +0.032 C 
ATOM     23  C   LIG    1        4.712  -2.906  -3.410  0.00  0.00    +0.009 C 
ENDBRANCH  19  22
ENDBRANCH  15  16
BRANCH  15  24
ATOM     24  C   LIG    1        1.954   0.444   2.661  0.00  0.00    +0.351 C 
ATOM     25  O   LIG    1        2.272   1.563   3.038  0.00  0.00    -0.246 OA
BRANCH  24  26
ATOM     26  O   LIG    1        2.181  -0.612   3.479  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1        2.615  -0.215   4.266  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  15  24
ENDBRANCH  14  15
ENDBRANCH   2  14
BRANCH   3  28
ATOM     28  C   LIG    1       -1.120   2.453   2.351  0.00  0.00    +0.038 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.808   2.007   3.649  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1       -1.464   0.586   4.061  0.00  0.00    +0.004 C 
ENDBRANCH  28  29
ENDBRANCH   3  28
TORSDOF 12