REMARK  Name = BDB052371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.229  -0.935   0.345  0.00  0.00    -0.027 A 
ATOM      2  C   LIG    1       -1.630   0.269  -0.059  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -0.325   0.594   0.324  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        0.396  -0.302   1.112  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.188  -1.505   1.518  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.492  -1.821   1.139  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.642  -1.265  -0.076  0.00  0.00    +0.147 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -5.346   0.552  -0.274  0.00  0.00    +0.403 C 
ATOM      9  N   LIG    1       -4.615  -0.337   0.489  0.00  0.00    -0.252 N 
ATOM     10  O   LIG    1       -6.260   1.237   0.172  0.00  0.00    -0.226 OA
BRANCH   8  12
ATOM     11  C   LIG    1       -5.669   1.515  -2.384  0.00  0.00    +0.282 C 
ATOM     12  O   LIG    1       -4.938   0.597  -1.571  0.00  0.00    -0.454 OA
ENDBRANCH   8  12
BRANCH   9  13
ATOM     13  C   LIG    1       -4.982  -0.493   1.896  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -6.076  -1.522   2.151  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1       -6.546  -1.794   3.247  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.512  -2.179   1.057  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -7.229  -2.754   1.398  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  O   LIG    1        0.121   1.797  -0.150  0.00  0.00    -0.486 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.382   2.285   0.326  0.00  0.00    +0.287 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.546   1.722  -0.411  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        3.666   1.262   0.250  0.00  0.00    -0.210 NA
ATOM     22  C   LIG    1        4.466   0.839  -0.710  0.00  0.00    +0.230 A 
ATOM     23  O   LIG    1        3.944   0.999  -1.970  0.00  0.00    -0.443 OA
ATOM     24  C   LIG    1        2.722   1.559  -1.764  0.00  0.00    +0.224 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.794   0.239  -0.628  0.00  0.00    +0.072 A 
ATOM     26  C   LIG    1        6.393  -0.006   0.616  0.00  0.00    +0.138 A 
ATOM     27  F   LIG    1        5.760   0.302   1.758  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        7.660  -0.577   0.718  0.00  0.00    +0.077 A 
ATOM     29  C   LIG    1        8.345  -0.912  -0.440  0.00  0.00    +0.126 A 
ATOM     30  F   LIG    1        9.563  -1.462  -0.352  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        7.785  -0.687  -1.691  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        6.513  -0.113  -1.785  0.00  0.00    +0.019 A 
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 10