REMARK  Name = BDB059439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.518   0.067   0.169  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.006  -0.130   0.262  0.00  0.00    +0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -2.530  -0.326   0.355  0.00  0.00    +0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -4.054  -0.522   0.447  0.00  0.00    +0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -5.578  -0.719   0.540  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -7.102  -0.915   0.633  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -8.626  -1.112   0.726  0.00  0.00    +0.000 C 
BRANCH   7   8
ATOM      8  C   LIG    1      -10.150  -1.308   0.818  0.00  0.00    +0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1      -11.675  -1.504   0.911  0.00  0.00    +0.000 C 
BRANCH   9  11
ATOM     10  C   LIG    1      -14.724  -1.897   1.096  0.00  0.00    +0.000 C 
ATOM     11  C   LIG    1      -13.199  -1.701   1.004  0.00  0.00    +0.000 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  C   LIG    1        2.042   0.263   0.077  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.566   0.460  -0.016  0.00  0.00    +0.005 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.090   0.656  -0.109  0.00  0.00    +0.026 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.614   0.852  -0.201  0.00  0.00    -0.013 C 
ATOM     16  C   LIG    1        7.904   1.018  -0.280  0.00  0.00    +0.155 C 
BRANCH  16  17
ATOM     17  C   LIG    1        8.840   0.001   0.285  0.00  0.00    +0.394 C 
ATOM     18  O   LIG    1        8.614  -0.360   1.486  0.00  0.00    -0.240 OA
ATOM     19  O   LIG    1        9.690  -0.506  -0.507  0.00  0.00    -0.240 OA
ENDBRANCH  16  17
BRANCH  16  20
ATOM     20  C   LIG    1        8.478   2.230  -0.936  0.00  0.00    +0.394 C 
ATOM     21  O   LIG    1        9.261   2.948  -0.244  0.00  0.00    -0.240 OA
ATOM     22  O   LIG    1        8.027   2.504  -2.096  0.00  0.00    -0.240 OA
ENDBRANCH  16  20
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 15