REMARK  Name = BDB037252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.294  -0.904   1.961  0.00  0.00    -0.221 N 
ATOM      2  H   LIG    1       -0.817  -0.210   2.510  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1       -0.735  -1.461   0.848  0.00  0.00    +0.256 C 
ATOM      4  O   LIG    1       -1.342  -2.014  -0.061  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.740  -1.297   0.733  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        1.297  -1.196  -0.552  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1        2.671  -1.004  -0.721  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        3.505  -0.949   0.413  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        2.938  -1.061   1.696  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.565  -1.236   1.858  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.301  -0.865  -1.927  0.00  0.00    -0.405 OA
BRANCH  11  12
ATOM     12  C   LIG    1        2.502  -0.706  -3.090  0.00  0.00    +0.575 C 
ATOM     13  F   LIG    1        1.647   0.330  -2.957  0.00  0.00    -0.133 F 
ATOM     14  F   LIG    1        1.816  -1.834  -3.362  0.00  0.00    -0.133 F 
ATOM     15  F   LIG    1        3.318  -0.445  -4.135  0.00  0.00    -0.133 F 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH   8  16
ATOM     16  C   LIG    1        4.998  -0.733   0.295  0.00  0.00    +0.182 C 
BRANCH  16  17
ATOM     17  N   LIG    1        5.331   0.684   0.324  0.00  0.00    -0.267 N 
ATOM     18  N   LIG    1        5.502   1.315   1.506  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1        5.811   2.566   1.154  0.00  0.00    +0.134 A 
ATOM     20  C   LIG    1        5.853   2.737  -0.241  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        5.546   1.499  -0.754  0.00  0.00    +0.108 A 
ENDBRANCH  16  17
ENDBRANCH   8  16
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  S   LIG    1       -2.955  -0.722   2.089  0.00  0.00    +0.160 S 
ATOM     23  O   LIG    1       -3.427  -2.084   2.210  0.00  0.00    -0.223 OA
ATOM     24  N   LIG    1       -3.032   0.318   3.221  0.00  0.00    -0.232 NA
ATOM     25  H   LIG    1       -4.013   0.487   3.452  0.00  0.00    +0.199 HD
BRANCH  22  27
ATOM     26  C   LIG    1       -2.909   0.959  -0.118  0.00  0.00    +0.142 A 
ATOM     27  C   LIG    1       -3.653   0.044   0.650  0.00  0.00    +0.148 A 
ATOM     28  C   LIG    1       -4.968  -0.274   0.285  0.00  0.00    +0.142 A 
ATOM     29  C   LIG    1       -5.544   0.305  -0.848  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1       -4.803   1.183  -1.630  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -3.496   1.512  -1.266  0.00  0.00    +0.047 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -0.850   2.117  -0.522  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -1.656   1.300   0.320  0.00  0.00    -0.494 OA
ENDBRANCH  26  33
BRANCH  28  34
ATOM     34  O   LIG    1       -5.756  -1.058   1.085  0.00  0.00    -0.494 OA
ATOM     35  C   LIG    1       -6.010  -2.325   0.470  0.00  0.00    +0.277 C 
ENDBRANCH  28  34
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 9