REMARK  Name = BDB052372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.789   0.899  -0.751  0.00  0.00    -0.027 A 
ATOM      2  C   LIG    1       -1.558   0.732  -0.097  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -0.410   0.349  -0.799  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.491   0.133  -2.174  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.709   0.298  -2.837  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.851   0.678  -2.132  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.019   1.303   0.025  0.00  0.00    +0.147 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -6.117   0.119  -0.669  0.00  0.00    +0.403 C 
ATOM      9  N   LIG    1       -4.999   0.219   0.140  0.00  0.00    -0.252 N 
ATOM     10  O   LIG    1       -6.935  -0.786  -0.574  0.00  0.00    -0.226 OA
BRANCH   8  12
ATOM     11  C   LIG    1       -7.384   1.088  -2.384  0.00  0.00    +0.282 C 
ATOM     12  O   LIG    1       -6.232   1.154  -1.540  0.00  0.00    -0.454 OA
ENDBRANCH   8  12
BRANCH   9  13
ATOM     13  C   LIG    1       -4.691  -0.890   1.058  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.143  -0.628   2.492  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1       -4.835  -1.339   3.439  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.936   0.459   2.637  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -6.141   0.853   1.766  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        0.711   0.224  -0.026  0.00  0.00    -0.486 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.918  -0.168  -0.687  0.00  0.00    +0.287 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.057  -0.272   0.268  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        4.359  -0.380  -0.179  0.00  0.00    -0.211 NA
ATOM     22  C   LIG    1        5.077  -0.454   0.927  0.00  0.00    +0.227 A 
ATOM     23  O   LIG    1        4.334  -0.407   2.077  0.00  0.00    -0.443 OA
ATOM     24  C   LIG    1        3.049  -0.292   1.644  0.00  0.00    +0.224 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.524  -0.578   1.079  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        7.134  -0.647   2.343  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        8.522  -0.765   2.452  0.00  0.00    +0.077 A 
ATOM     28 CL   LIG    1        9.242  -0.847   4.014  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        9.310  -0.816   1.305  0.00  0.00    +0.142 A 
ATOM     30  F   LIG    1       10.643  -0.929   1.392  0.00  0.00    -0.204 F 
ATOM     31  C   LIG    1        8.726  -0.750   0.045  0.00  0.00    +0.040 A 
ATOM     32  C   LIG    1        7.338  -0.631  -0.066  0.00  0.00    +0.016 A 
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 10