REMARK  Name = BDB025477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.131   1.816  -0.131  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.416   1.018   0.896  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -1.552   0.168   0.956  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1       -1.833  -0.378   2.022  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1        0.400   1.060   2.007  0.00  0.00    -0.166 NA
ATOM      6  C   LIG    1        1.516   1.652   1.592  0.00  0.00    +0.084 A 
ATOM      7  C   LIG    1        2.753   1.776   2.427  0.00  0.00    +0.167 C 
ATOM      8  N   LIG    1        3.924   1.903   1.514  0.00  0.00    -0.170 NA
ATOM      9  C   LIG    1        3.763   2.954   0.468  0.00  0.00    +0.114 C 
ATOM     10  C   LIG    1        2.559   2.726  -0.461  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        1.418   2.105   0.262  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -2.319  -0.051  -0.341  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.706  -0.635  -0.084  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -3.983  -1.987  -0.364  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.283  -2.472  -0.155  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -6.277  -1.655   0.384  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -5.980  -0.337   0.692  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -6.932   0.454   1.205  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -3.045  -2.820  -0.989  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -3.186  -3.800  -0.752  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -1.653  -2.405  -0.897  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -4.712   0.181   0.462  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -1.527  -0.945  -1.305  0.00  0.00    +0.036 C 
ENDBRANCH   3  12
BRANCH   1  24
ATOM     24  N   LIG    1       -0.476   2.170  -1.294  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1        0.046   2.783  -1.921  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -1.438   2.507  -1.261  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
BRANCH   8  27
ATOM     27  S   LIG    1        4.801   0.500   1.181  0.00  0.00    +0.061 S 
ATOM     28  O   LIG    1        5.821   0.832   0.208  0.00  0.00    -0.153 OA
ATOM     29  O   LIG    1        5.151  -0.112   2.445  0.00  0.00    -0.153 OA
BRANCH  27  30
ATOM     30  C   LIG    1        3.650  -0.594   0.386  0.00  0.00    +0.108 A 
ATOM     31  C   LIG    1        3.596  -0.664  -1.003  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1        2.676  -1.532  -1.560  0.00  0.00    +0.112 A 
ATOM     33  N   LIG    1        1.846  -2.316  -0.835  0.00  0.00    -0.263 NA
ATOM     34  C   LIG    1        1.966  -2.262   0.510  0.00  0.00    +0.112 A 
ATOM     35  C   LIG    1        2.853  -1.432   1.165  0.00  0.00    +0.048 A 
ENDBRANCH  27  30
ENDBRANCH   8  27
TORSDOF 4