REMARK  Name = BDB056726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.645  -0.516  -2.081  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.178  -0.305  -0.731  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.139  -0.216  -0.346  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        1.084   0.016   1.025  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1        2.280   0.174   1.733  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1        3.476   0.094   1.092  0.00  0.00    -0.219 NA
ATOM      7  C   LIG    1        3.486  -0.147  -0.241  0.00  0.00    +0.223 A 
ATOM      8  N   LIG    1       -0.217   0.048   1.461  0.00  0.00    -0.227 NA
ATOM      9  C   LIG    1        2.351  -0.301  -1.032  0.00  0.00    +0.095 A 
ATOM     10  C   LIG    1       -0.966  -0.137   0.388  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.697  -0.219  -0.929  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.854  -0.288  -0.192  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1        6.848   0.646  -0.477  0.00  0.00    +0.086 A 
ATOM     14  C   LIG    1        8.068   0.572   0.190  0.00  0.00    +0.145 A 
ATOM     15  F   LIG    1        9.017   1.474  -0.104  0.00  0.00    -0.204 F 
ATOM     16  C   LIG    1        8.305  -0.431   1.130  0.00  0.00    +0.076 A 
ATOM     17 CL   LIG    1        9.821  -0.533   1.941  0.00  0.00    -0.081 Cl
ATOM     18  C   LIG    1        7.315  -1.375   1.405  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        6.091  -1.312   0.732  0.00  0.00    +0.048 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  20
ATOM     20  C   LIG    1       -2.462  -0.194   0.383  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.926   0.776  -0.556  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.277   0.838  -0.764  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -5.248   0.133  -0.053  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -6.607   0.293  -0.370  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -6.987   1.160  -1.400  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -6.019   1.867  -2.108  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.670   1.707  -1.785  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.672  -0.429   0.368  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -8.869  -0.339   0.167  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.184  -1.237   1.326  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -7.987  -1.624   1.735  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7