REMARK  Name = BDB018164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.356  -0.391  -1.316  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.730   1.003  -1.140  0.00  0.00    +0.198 C 
ATOM      3  C   LIG    1        0.532   0.734  -0.311  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1        0.233   0.853   1.182  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        0.900  -0.675  -0.804  0.00  0.00    +0.188 C 
ATOM      6  O   LIG    1       -0.369  -1.374  -0.923  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -7.157  -0.027   0.789  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -5.985   0.298  -0.083  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -4.722  -0.298   0.044  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -4.127  -1.275   0.887  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -2.815  -1.430   0.489  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1       -2.587  -0.574  -0.559  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1       -3.742   0.115  -0.847  0.00  0.00    +0.146 A 
ATOM     14  N   LIG    1       -3.872   1.034  -1.821  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -5.119   1.537  -1.856  0.00  0.00    +0.223 A 
ATOM     16  N   LIG    1       -6.161   1.230  -1.060  0.00  0.00    -0.240 NA
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  O   LIG    1       -0.328   1.539  -2.423  0.00  0.00    -0.384 OA
ATOM     18  H   LIG    1       -1.154   1.794  -2.880  0.00  0.00    +0.210 HD
ENDBRANCH   2  17
BRANCH   3  19
ATOM     19  O   LIG    1        1.538   1.698  -0.635  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1        1.353   1.977  -1.557  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   5  21
ATOM     21  C   LIG    1        1.860  -1.548   0.034  0.00  0.00    +0.176 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.240  -0.963   0.256  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        4.083  -0.722  -0.841  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        5.362  -0.188  -0.660  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        5.836   0.108   0.625  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        5.000  -0.134   1.723  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        3.722  -0.669   1.539  0.00  0.00    +0.007 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.205   0.708   0.819  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        7.193   2.068   0.753  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        7.764   0.398   2.023  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        8.105   0.299  -0.120  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
ENDBRANCH  21  22
BRANCH  21  32
ATOM     32  O   LIG    1        1.233  -1.927   1.266  0.00  0.00    -0.384 OA
ATOM     33  H   LIG    1        0.387  -2.333   1.004  0.00  0.00    +0.210 HD
ENDBRANCH  21  32
ENDBRANCH   5  21
TORSDOF 7