REMARK  Name = BDB047308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.203  -1.485  -0.954  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -1.151  -0.552  -0.919  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1       -1.315   0.691  -0.278  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -2.496   0.929   0.452  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -3.524  -0.017   0.493  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -3.375  -1.208  -0.228  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.799   0.198   1.246  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1       -5.674  -0.667   1.214  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -5.014   1.475   2.033  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -5.562   2.579   1.149  0.00  0.00    +0.012 C 
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1       -2.160  -2.748  -1.786  0.00  0.00    +0.038 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -1.922  -5.256  -1.818  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -2.004  -4.015  -0.943  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  O   LIG    1        0.032  -0.812  -1.569  0.00  0.00    -0.472 OA
BRANCH  14  15
ATOM     15  C   LIG    1        0.895  -1.666  -0.797  0.00  0.00    +0.311 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.981  -0.832  -0.131  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        1.998  -0.677   1.262  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        2.996   0.082   1.879  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.996   0.706   1.121  0.00  0.00    -0.045 A 
ATOM     20  C   LIG    1        3.970   0.557  -0.273  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.974  -0.200  -0.893  0.00  0.00    +0.008 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.065   1.532   1.815  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        4.986   3.005   1.407  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        6.466   0.970   1.562  0.00  0.00    +0.012 C 
ENDBRANCH  19  22
ENDBRANCH  15  16
BRANCH  15  25
ATOM     25  C   LIG    1        1.502  -2.788  -1.673  0.00  0.00    +0.351 C 
ATOM     26  O   LIG    1        1.149  -3.064  -2.812  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        2.467  -3.520  -1.052  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        2.728  -3.181  -0.173  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  15  25
ENDBRANCH  14  15
ENDBRANCH   2  14
BRANCH   3  29
ATOM     29  C   LIG    1       -0.282   1.795  -0.365  0.00  0.00    +0.038 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -0.782   3.067  -1.063  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -1.087   2.852  -2.539  0.00  0.00    +0.004 C 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 12