REMARK  Name = BDB018162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.448  -0.075   1.216  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.747  -1.576   1.407  0.00  0.00    +0.198 C 
ATOM      3  C   LIG    1       -0.668  -2.262   0.564  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1       -1.092  -2.425  -0.896  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        0.500  -1.288   0.782  0.00  0.00    +0.188 C 
ATOM      6  O   LIG    1       -0.085   0.025   0.707  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -5.603   2.526  -2.621  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -4.961   1.396  -1.880  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.848   1.542  -1.036  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -3.030   2.624  -0.622  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -2.079   2.116   0.232  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1       -2.283   0.751   0.356  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1       -3.363   0.395  -0.414  0.00  0.00    +0.146 A 
ATOM     14  N   LIG    1       -3.869  -0.841  -0.554  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -4.930  -0.871  -1.376  0.00  0.00    +0.223 A 
ATOM     16  N   LIG    1       -5.494   0.155  -2.037  0.00  0.00    -0.240 NA
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  O   LIG    1       -1.524  -1.935   2.795  0.00  0.00    -0.384 OA
ATOM     18  H   LIG    1       -1.289  -2.888   2.762  0.00  0.00    +0.210 HD
ENDBRANCH   2  17
BRANCH   3  19
ATOM     19  O   LIG    1       -0.382  -3.563   1.098  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1        0.452  -3.850   0.665  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   5  21
ATOM     21  C   LIG    1        1.673  -1.453  -0.201  0.00  0.00    +0.176 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.882  -0.626   0.198  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        3.148   0.589  -0.448  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        4.254   1.369  -0.087  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        5.109   0.948   0.931  0.00  0.00    +0.130 A 
ATOM     26  C   LIG    1        4.842  -0.258   1.585  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        3.740  -1.038   1.227  0.00  0.00    +0.010 A 
BRANCH  25  28
ATOM     28  O   LIG    1        6.217   1.603   1.386  0.00  0.00    -0.406 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.555   2.834   0.771  0.00  0.00    +0.575 C 
ATOM     30  F   LIG    1        5.574   3.748   0.932  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1        7.676   3.316   1.353  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1        6.806   2.670  -0.546  0.00  0.00    -0.133 F 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  22
BRANCH  21  33
ATOM     33  O   LIG    1        2.049  -2.836  -0.281  0.00  0.00    -0.384 OA
ATOM     34  H   LIG    1        2.934  -2.857  -0.691  0.00  0.00    +0.210 HD
ENDBRANCH  21  33
ENDBRANCH   5  21
TORSDOF 8