REMARK  Name = BDB047297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.460  -0.947  -0.322  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1        0.120   0.378   0.011  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        1.039   1.206   0.683  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1        2.261   0.654   1.107  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.588  -0.681   0.844  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        1.690  -1.470   0.121  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.905  -1.201   1.327  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1        4.627  -0.470   2.002  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1        4.302  -2.623   0.968  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1        5.681  -2.987   1.495  0.00  0.00    +0.012 C 
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1       -0.420  -1.826  -1.184  0.00  0.00    +0.038 C 
BRANCH  11  13
ATOM     12  C   LIG    1        0.040  -0.719  -3.433  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        0.105  -2.001  -2.614  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  O   LIG    1       -1.089   0.875  -0.413  0.00  0.00    -0.472 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.056   0.957   0.653  0.00  0.00    +0.311 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.115  -0.120   0.463  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.300  -1.110   1.440  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -4.267  -2.102   1.267  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.055  -2.118   0.118  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.879  -1.143  -0.862  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.914  -0.149  -0.693  0.00  0.00    +0.008 A 
ENDBRANCH  15  16
BRANCH  15  22
ATOM     22  C   LIG    1       -2.706   2.349   0.658  0.00  0.00    +0.351 C 
ATOM     23  O   LIG    1       -2.602   3.227  -0.186  0.00  0.00    -0.246 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -3.456   2.579   1.763  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1       -3.820   3.477   1.615  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  15  22
ENDBRANCH  14  15
ENDBRANCH   2  14
BRANCH   3  26
ATOM     26  C   LIG    1        0.807   2.683   0.915  0.00  0.00    +0.038 C 
BRANCH  26  27
ATOM     27  C   LIG    1        0.935   3.497  -0.374  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1        0.718   4.980  -0.117  0.00  0.00    +0.004 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 11