REMARK  Name = BDB045333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.306   2.574  -0.134  0.00  0.00    +0.213 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        3.320   0.932   0.463  0.00  0.00    -0.012 C 
ATOM      3  C   LIG    1        2.412   1.671   0.197  0.00  0.00    -0.053 C 
BRANCH   2   5
ATOM      4  C   LIG    1        5.388  -0.760   1.069  0.00  0.00    -0.053 C 
ATOM      5  C   LIG    1        4.483  -0.017   0.804  0.00  0.00    -0.012 C 
BRANCH   4   6
ATOM      6  C   LIG    1        6.492  -1.667   1.401  0.00  0.00    +0.213 C 
BRANCH   6   8
ATOM      7  C   LIG    1        8.114  -2.561  -0.355  0.00  0.00    +0.007 C 
ATOM      8  C   LIG    1        6.888  -2.458   0.182  0.00  0.00    +0.009 C 
ENDBRANCH   6   8
BRANCH   6   9
ATOM      9  O   LIG    1        7.590  -0.911   1.891  0.00  0.00    -0.376 OA
ATOM     10  H   LIG    1        7.787  -0.250   1.207  0.00  0.00    +0.211 HD
ENDBRANCH   6   9
ENDBRANCH   4   6
ENDBRANCH   2   5
ENDBRANCH   1   3
BRANCH   1  11
ATOM     11  C   LIG    1        0.264   2.527   0.948  0.00  0.00    +0.013 C 
ATOM     12  C   LIG    1       -0.879   1.821   1.032  0.00  0.00    -0.028 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.397   0.791   0.069  0.00  0.00    +0.027 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.501   1.318  -0.854  0.00  0.00    +0.004 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.767   1.817  -0.152  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.518   0.797   0.712  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.166  -0.353  -0.068  0.00  0.00    -0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.301  -1.613  -0.130  0.00  0.00    -0.003 C 
ATOM     19  C   LIG    1       -5.019  -2.742  -0.856  0.00  0.00    +0.004 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  11
BRANCH   1  20
ATOM     20  O   LIG    1        0.758   2.231  -1.397  0.00  0.00    -0.376 OA
ATOM     21  H   LIG    1        1.508   2.131  -2.006  0.00  0.00    +0.211 HD
ENDBRANCH   1  20
TORSDOF 13