REMARK  Name = BDB028647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.560  -1.710  -0.553  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -0.639  -1.337   0.446  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.074  -0.603   1.531  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1       -0.024  -0.354   2.357  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1        1.123  -0.923   1.829  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1       -2.387  -0.190   1.727  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.315  -0.557   0.737  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        0.748  -1.513   0.692  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1       -2.897  -1.303  -0.386  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.019  -2.912  -2.560  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -1.073  -2.428  -1.612  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1        1.597  -2.197  -0.165  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1        1.216  -2.580  -1.027  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1        3.209  -2.488   0.101  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        3.400  -3.057   1.417  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        3.681  -3.190  -1.077  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.936  -0.867   0.057  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        4.296  -0.232   1.248  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        4.890   1.031   1.204  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1        5.134   1.664  -0.026  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        4.790   0.998  -1.216  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        4.194  -0.264  -1.177  0.00  0.00    +0.029 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.797   3.020  -0.074  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        5.564   3.772   1.037  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        7.150   2.931  -0.190  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        5.380   3.777  -1.128  0.00  0.00    -0.166 F 
ENDBRANCH  20  23
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  27
ATOM     27  C   LIG    1       -4.760  -0.132   0.877  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.927   1.289   0.606  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1       -4.983   2.169   1.627  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -5.149   3.347   1.020  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1       -5.215   3.224  -0.380  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -5.075   1.877  -0.620  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 7