REMARK  Name = BDB048658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.674   1.047  -0.766  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -0.754  -0.006  -0.692  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.398  -0.025  -1.498  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        0.634   1.039  -2.388  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -0.283   2.090  -2.462  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.430   2.092  -1.662  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1        1.797   0.970  -3.112  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1        1.923   1.864  -4.212  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1       -2.918   1.032   0.090  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.108   0.345  -0.600  0.00  0.00    +0.102 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.691   1.235  -1.686  0.00  0.00    +0.308 C 
ATOM     12  O   LIG    1       -4.654   0.963  -2.877  0.00  0.00    -0.251 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -5.265   2.375  -1.239  0.00  0.00    -0.480 OA
ATOM     14  H   LIG    1       -5.266   2.486  -0.271  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
BRANCH  10  15
ATOM     15  C   LIG    1       -5.216  -0.067   0.389  0.00  0.00    +0.015 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.853  -1.324   1.190  0.00  0.00    +0.001 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -6.379  -0.876   3.186  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -6.001  -1.832   2.066  0.00  0.00    -0.003 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1        1.364  -1.177  -1.372  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.535  -0.790  -0.619  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1        2.849   0.162  -0.738  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        3.301  -1.715   0.050  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        2.980  -2.891   0.182  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1        4.568  -1.218   0.656  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        5.285  -0.142   0.121  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        6.473   0.281   0.727  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        6.963  -0.366   1.874  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        6.252  -1.460   2.389  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        5.065  -1.883   1.784  0.00  0.00    +0.013 A 
BRANCH  27  30
ATOM     30  C   LIG    1        8.258   0.079   2.511  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        9.342  -0.538   1.966  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.312  -0.176   3.848  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.483   1.416   2.379  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 12