REMARK  Name = BDB053286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.280  -0.618  -0.499  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.475   0.174   0.328  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.931   1.390  -0.124  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.177   1.808  -1.443  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -1.972   1.016  -2.274  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.519  -0.185  -1.806  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1       -0.579   2.982  -1.823  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1       -0.949   3.516  -3.089  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1       -2.857  -1.916   0.016  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.366  -1.921   0.328  0.00  0.00    +0.102 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -4.282  -0.937   2.685  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -4.841  -0.805   1.276  0.00  0.00    +0.011 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -5.183  -1.913  -0.955  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -5.798  -0.954  -1.396  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.174  -3.106  -1.598  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -4.673  -3.808  -1.143  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -0.060   2.193   0.812  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.337   1.869   0.623  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        1.720   2.119  -0.278  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        1.954   0.889   1.368  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        1.419   0.304   2.304  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        3.340   0.525   0.959  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.812  -0.756   1.268  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        5.107  -1.146   0.907  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        5.947  -0.254   0.240  0.00  0.00    +0.130 A 
ATOM     26  C   LIG    1        5.479   1.032  -0.053  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        4.186   1.425   0.305  0.00  0.00    +0.016 A 
BRANCH  25  28
ATOM     28  O   LIG    1        7.227  -0.494  -0.170  0.00  0.00    -0.406 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.774  -1.777   0.084  0.00  0.00    +0.575 C 
ATOM     30  F   LIG    1        7.058  -2.743  -0.531  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1        9.034  -1.814  -0.403  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1        7.829  -2.029   1.409  0.00  0.00    -0.133 F 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 11