REMARK  Name = BDB011128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.118  -2.625   0.742  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.385  -2.254   0.066  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1        3.057  -2.892  -0.956  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.826  -4.113  -1.747  0.00  0.00    +0.088 C 
ATOM      5  O   LIG    1        4.174  -2.161  -1.243  0.00  0.00    -0.440 OA
ATOM      6  C   LIG    1        4.128  -1.107  -0.368  0.00  0.00    +0.228 A 
ATOM      7  N   LIG    1        3.075  -1.119   0.429  0.00  0.00    -0.214 NA
BRANCH   6   8
ATOM      8  C   LIG    1        5.219  -0.139  -0.440  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        6.260  -0.258  -1.372  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        7.294   0.684  -1.417  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        7.308   1.772  -0.532  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        6.274   1.889   0.408  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        5.242   0.946   0.449  0.00  0.00    +0.014 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.436   2.774  -0.568  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        9.503   2.378   0.180  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.919   2.986  -1.824  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        8.081   4.001  -0.095  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.002  -1.630   0.452  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.197  -2.115   1.070  0.00  0.00    -0.492 OA
BRANCH  19  24
ATOM     20  C   LIG    1       -3.654   0.534   0.119  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1       -4.809  -0.028   0.701  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -4.699  -1.249   1.387  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.474  -1.909   1.485  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -2.330  -1.368   0.904  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1       -2.425  -0.153   0.225  0.00  0.00    +0.049 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -3.924   1.606  -2.139  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -3.672   1.834  -0.655  0.00  0.00    +0.032 C 
ENDBRANCH  20  27
BRANCH  21  28
ATOM     28  C   LIG    1       -6.165   0.643   0.655  0.00  0.00    +0.046 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.372   1.554   1.864  0.00  0.00    +0.125 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.712   2.242   1.808  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       -8.537   2.114   0.918  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.921   3.046   2.877  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -7.179   3.058   3.512  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11