REMARK  Name = BDB046886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.521  -0.669  -1.848  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.612  -0.451  -0.634  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1        0.220  -1.683  -0.270  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1        1.115  -1.474   0.957  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1        2.147  -0.345   0.857  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.141  -0.528  -0.293  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   LIG    1        4.180   0.595  -0.386  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.181   0.597   0.773  0.00  0.00    -0.000 C 
BRANCH   8  10
ATOM      9  C   LIG    1        7.176   1.555  -0.502  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1        6.222   1.716   0.670  0.00  0.00    -0.003 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1       -2.579  -1.768  -1.704  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.512  -1.640  -0.497  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.328  -0.345  -0.494  0.00  0.00    +0.001 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.313  -0.316   0.680  0.00  0.00    +0.011 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -6.150   0.964   0.709  0.00  0.00    +0.120 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.370   2.176   1.167  0.00  0.00    +0.305 C 
ATOM     17  O   LIG    1       -4.241   2.162   1.630  0.00  0.00    -0.251 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -6.079   3.322   1.030  0.00  0.00    -0.481 OA
ATOM     19  H   LIG    1       -6.972   3.190   0.660  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 15