REMARK  Name = BDB042479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.235   2.831   0.731  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.996   1.532   0.768  0.00  0.00    -0.042 A 
ATOM      3  C   LIG    1       -4.428   0.311   0.337  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -5.198  -0.869   0.398  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1       -4.600  -2.148  -0.058  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1       -3.302  -2.087  -0.515  0.00  0.00    -0.326 N 
ATOM      7  H   LIG    1       -2.921  -2.973  -0.827  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -2.538  -0.948  -0.574  0.00  0.00    +0.020 A 
ATOM      9  O   LIG    1       -5.201  -3.216  -0.042  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -6.505  -0.831   0.880  0.00  0.00    +0.136 A 
ATOM     11  F   LIG    1       -7.263  -1.934   0.952  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -7.065   0.368   1.305  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -3.051   0.227  -0.179  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -6.317   1.542   1.250  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -1.137  -1.087  -1.119  0.00  0.00    +0.054 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.202  -1.780  -0.120  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.222  -1.954  -0.667  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.893  -0.691  -1.010  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1        2.092   0.169   0.181  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        3.259   1.177   0.057  0.00  0.00    +0.122 C 
ATOM     21  N   LIG    1        4.522   0.475  -0.170  0.00  0.00    -0.307 N 
ATOM     22  C   LIG    1        4.449  -0.831  -0.834  0.00  0.00    +0.122 C 
ATOM     23  C   LIG    1        3.178  -0.933  -1.708  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.743   1.038   0.046  0.00  0.00    +0.161 A 
ATOM     25  S   LIG    1        5.968   2.667   0.610  0.00  0.00    -0.061 S 
ATOM     26  C   LIG    1        7.663   2.464   0.571  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        7.963   1.194   0.140  0.00  0.00    +0.120 A 
ATOM     28  N   LIG    1        6.877   0.397  -0.155  0.00  0.00    -0.233 NA
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 5