REMARK  Name = BDB018163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.052  -1.654   0.842  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.828  -0.475   1.788  0.00  0.00    +0.198 C 
ATOM      3  C   LIG    1       -0.697  -0.399   1.764  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1       -1.257   0.882   2.362  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -1.040  -0.736   0.296  0.00  0.00    +0.188 C 
ATOM      6  O   LIG    1        0.067  -1.558  -0.201  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        6.410  -0.739  -2.157  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1        5.016  -0.411  -1.722  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        4.243  -1.228  -0.882  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        4.429  -2.469  -0.218  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        3.273  -2.747   0.477  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1        2.382  -1.719   0.256  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1        2.962  -0.784  -0.570  0.00  0.00    +0.146 A 
ATOM     14  N   LIG    1        2.393   0.360  -0.992  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        3.223   1.067  -1.784  0.00  0.00    +0.223 A 
ATOM     16  N   LIG    1        4.475   0.755  -2.163  0.00  0.00    -0.240 NA
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  O   LIG    1        1.300  -0.714   3.120  0.00  0.00    -0.384 OA
ATOM     18  H   LIG    1        2.273  -0.644   3.094  0.00  0.00    +0.210 HD
ENDBRANCH   2  17
BRANCH   3  19
ATOM     19  O   LIG    1       -1.193  -1.478   2.595  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1       -0.669  -1.429   3.423  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   5  21
ATOM     21  C   LIG    1       -1.213   0.427  -0.713  0.00  0.00    +0.176 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.561   1.129  -0.649  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -3.745   0.401  -0.873  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -5.006   1.024  -0.834  0.00  0.00    +0.090 A 
ATOM     25  C   LIG    1       -5.068   2.389  -0.577  0.00  0.00    +0.135 A 
ATOM     26  F   LIG    1       -6.255   3.009  -0.534  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -3.915   3.135  -0.370  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -2.668   2.509  -0.411  0.00  0.00    +0.009 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -6.278   0.266  -1.065  0.00  0.00    +0.420 C 
ATOM     30  F   LIG    1       -6.070  -1.062  -1.300  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -6.979   0.719  -2.141  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -7.129   0.317  -0.004  0.00  0.00    -0.166 F 
ENDBRANCH  24  29
ENDBRANCH  21  22
BRANCH  21  33
ATOM     33  O   LIG    1       -0.142   1.363  -0.580  0.00  0.00    -0.384 OA
ATOM     34  H   LIG    1        0.668   0.890  -0.870  0.00  0.00    +0.210 HD
ENDBRANCH  21  33
ENDBRANCH   5  21
TORSDOF 7