REMARK  Name = BDB059982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.969   0.080  -0.686  0.00  0.00    +0.023 C 
ATOM      2  C   LIG    1       -1.712  -0.712  -0.881  0.00  0.00    +0.230 C 
ATOM      3  O   LIG    1       -1.764  -1.740  -1.558  0.00  0.00    -0.283 OA
ATOM      4  C   LIG    1       -0.385  -0.160  -0.190  0.00  0.00    +0.233 C 
ATOM      5  O   LIG    1        0.642  -0.879  -0.396  0.00  0.00    -0.283 OA
ATOM      6  C   LIG    1       -0.457   0.999   0.541  0.00  0.00    +0.063 C 
ATOM      7  C   LIG    1       -1.738   1.755   0.707  0.00  0.00    +0.195 C 
ATOM      8  O   LIG    1       -1.895   2.789   1.336  0.00  0.00    -0.287 OA
ATOM      9  C   LIG    1       -2.822   1.134   0.033  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -4.229  -0.264  -1.225  0.00  0.00    +0.030 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.594  -0.654  -1.821  0.00  0.00    +0.005 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -6.955  -1.049  -2.419  0.00  0.00    +0.000 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -9.691  -1.823  -3.608  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1       -8.319  -1.441  -3.016  0.00  0.00    +0.000 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  15
ATOM     15  C   LIG    1        0.715   1.518   1.171  0.00  0.00    +0.058 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.091   1.882   1.753  0.00  0.00    -0.030 C 
ATOM     17  C   LIG    1        3.306   2.044   2.164  0.00  0.00    -0.048 C 
ATOM     18  C   LIG    1        3.709   3.243   3.040  0.00  0.00    +0.026 C 
BRANCH  17  19
ATOM     19  C   LIG    1        4.276   1.086   1.788  0.00  0.00    +0.026 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.264  -0.004   1.333  0.00  0.00    +0.030 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.214  -1.117   0.853  0.00  0.00    -0.034 C 
ATOM     22  C   LIG    1        7.011  -2.055   0.447  0.00  0.00    -0.048 C 
ATOM     23  C   LIG    1        7.924  -1.802  -0.768  0.00  0.00    +0.026 C 
ATOM     24  C   LIG    1        7.377  -3.206   1.404  0.00  0.00    +0.026 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 9