REMARK  Name = BDB037251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.329  -0.336  -0.617  0.00  0.00    -0.221 N 
ATOM      2  H   LIG    1       -1.369  -0.280   0.386  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1       -0.163  -0.510  -1.304  0.00  0.00    +0.256 C 
ATOM      4  O   LIG    1       -0.085  -0.764  -2.500  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.090  -0.374  -0.506  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        2.243  -1.031  -0.969  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1        3.451  -0.939  -0.270  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        3.505  -0.180   0.915  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        2.352   0.492   1.360  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.153   0.400   0.655  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.624  -1.536  -0.643  0.00  0.00    -0.405 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.651  -2.290  -1.846  0.00  0.00    +0.575 C 
ATOM     13  F   LIG    1        4.347  -1.519  -2.909  0.00  0.00    -0.133 F 
ATOM     14  F   LIG    1        3.805  -3.338  -1.778  0.00  0.00    -0.133 F 
ATOM     15  F   LIG    1        5.902  -2.770  -2.017  0.00  0.00    -0.133 F 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH   8  16
ATOM     16  C   LIG    1        4.784  -0.028   1.711  0.00  0.00    +0.182 C 
BRANCH  16  17
ATOM     17  N   LIG    1        5.450   1.230   1.405  0.00  0.00    -0.267 N 
ATOM     18  N   LIG    1        5.216   2.321   2.166  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1        5.991   3.260   1.616  0.00  0.00    +0.134 A 
ATOM     20  C   LIG    1        6.727   2.775   0.520  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        6.362   1.454   0.411  0.00  0.00    +0.108 A 
ENDBRANCH  16  17
ENDBRANCH   8  16
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  S   LIG    1       -2.807  -0.733  -1.319  0.00  0.00    +0.160 S 
ATOM     23  O   LIG    1       -2.761  -2.180  -1.342  0.00  0.00    -0.223 OA
ATOM     24  N   LIG    1       -2.914   0.225  -2.510  0.00  0.00    -0.232 NA
ATOM     25  H   LIG    1       -2.121   0.046  -3.136  0.00  0.00    +0.199 HD
BRANCH  22  27
ATOM     26  C   LIG    1       -3.900   0.590   0.863  0.00  0.00    +0.142 A 
ATOM     27  C   LIG    1       -4.113  -0.289  -0.205  0.00  0.00    +0.148 A 
ATOM     28  C   LIG    1       -5.378  -0.863  -0.382  0.00  0.00    +0.142 A 
ATOM     29  C   LIG    1       -6.420  -0.553   0.500  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1       -6.192   0.295   1.582  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -4.932   0.859   1.769  0.00  0.00    +0.047 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -2.697   2.539   0.676  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -2.677   1.166   1.093  0.00  0.00    -0.494 OA
ENDBRANCH  26  33
BRANCH  28  34
ATOM     34  O   LIG    1       -5.636  -1.657  -1.466  0.00  0.00    -0.494 OA
ATOM     35  C   LIG    1       -5.931  -3.001  -1.083  0.00  0.00    +0.277 C 
ENDBRANCH  28  34
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 9