REMARK  Name = BDB013198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.093  -0.236  -0.277  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        1.363  -1.324  -0.821  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.004  -1.169  -0.940  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.452  -2.350  -1.451  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.559  -3.163  -1.663  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.676   0.001  -0.572  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.007   0.999  -0.076  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.707  -2.515  -1.266  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.375   0.860   0.049  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.425  -0.152   2.451  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        4.191  -0.171   1.157  0.00  0.00    -0.036 A 
ATOM     12  C   LIG    1        3.557  -0.221  -0.097  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.376  -0.269  -1.228  0.00  0.00    +0.123 A 
ATOM     14  N   LIG    1        5.730  -0.230  -1.205  0.00  0.00    -0.221 NA
ATOM     15  C   LIG    1        6.306  -0.145   0.007  0.00  0.00    +0.220 A 
ATOM     16  C   LIG    1        5.592  -0.122   1.196  0.00  0.00    +0.071 A 
BRANCH  15  17
ATOM     17  O   LIG    1        7.675  -0.122   0.117  0.00  0.00    -0.417 OA
BRANCH  17  18
ATOM     18  C   LIG    1        8.307   0.074  -1.133  0.00  0.00    +0.542 C 
ATOM     19  F   LIG    1        9.636  -0.151  -0.935  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        8.200   1.383  -1.478  0.00  0.00    -0.166 F 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.044   0.061  -0.739  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.458  -0.539  -1.444  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.760   1.317  -0.586  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.236   1.049  -0.571  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.875   0.466   0.519  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.317  -0.034   1.799  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.619  -0.237   2.574  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.707  -0.396   1.634  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.238   0.198   0.492  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.024   0.487  -0.605  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.407   1.077  -1.708  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.033   1.350  -1.683  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.471   1.897  -2.771  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6