REMARK  Name = BDB048506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.912  -0.241  -3.612  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -3.124   0.161  -2.816  0.00  0.00    -0.292 OA
ATOM      3  C   LIG    1       -2.016   0.624  -3.077  0.00  0.00    +0.164 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -1.704   2.064  -2.871  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -1.907   2.712  -1.714  0.00  0.00    +0.011 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.427   2.108  -0.487  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1       -1.537   1.648   0.488  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -2.021   1.048   1.661  0.00  0.00    +0.101 A 
ATOM      9  C   LIG    1       -3.400   0.912   1.852  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1       -4.290   1.376   0.882  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -3.804   1.971  -0.285  0.00  0.00    +0.011 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -1.053   0.505   2.639  0.00  0.00    +0.340 C 
ATOM     13  O   LIG    1       -1.123  -0.565   3.213  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        0.003   1.333   2.762  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        0.673   0.852   3.317  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   9  16
ATOM     16  O   LIG    1       -3.890   0.347   2.994  0.00  0.00    -0.506 OA
ATOM     17  H   LIG    1       -4.851   0.237   2.919  0.00  0.00    +0.292 HD
ENDBRANCH   9  16
ENDBRANCH   5   6
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1        0.053  -0.650  -2.532  0.00  0.00    +0.164 C 
ATOM     19  O   LIG    1        1.128  -0.071  -2.405  0.00  0.00    -0.292 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -0.380  -1.766  -1.634  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        0.322  -2.315  -0.631  0.00  0.00    +0.011 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.671  -1.954  -0.190  0.00  0.00    -0.024 A 
ATOM     23  C   LIG    1        1.835  -1.347   1.059  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        3.104  -0.958   1.514  0.00  0.00    +0.101 A 
ATOM     25  C   LIG    1        4.218  -1.223   0.706  0.00  0.00    +0.131 A 
ATOM     26  C   LIG    1        4.068  -1.855  -0.531  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        2.795  -2.217  -0.976  0.00  0.00    +0.011 A 
BRANCH  24  28
ATOM     28  C   LIG    1        3.171  -0.257   2.831  0.00  0.00    +0.340 C 
ATOM     29  O   LIG    1        2.172   0.081   3.453  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        4.415  -0.013   3.291  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        5.109  -0.304   2.658  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
BRANCH  25  32
ATOM     32  O   LIG    1        5.474  -0.864   1.126  0.00  0.00    -0.506 OA
ATOM     33  H   LIG    1        6.103  -1.044   0.401  0.00  0.00    +0.292 HD
ENDBRANCH  25  32
ENDBRANCH  21  22
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 12