REMARK  Name = BDB033757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.971  -2.473   0.779  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -2.361  -1.325   0.313  0.00  0.00    +0.093 A 
ATOM      3  N   LIG    1       -1.025  -1.123   0.442  0.00  0.00    -0.213 NA
ATOM      4  C   LIG    1       -0.283  -2.057   1.052  0.00  0.00    +0.220 A 
ATOM      5  N   LIG    1       -0.806  -3.191   1.540  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -2.134  -3.377   1.391  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.061  -0.226  -0.375  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -4.152   0.439   0.207  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.782   1.482  -0.468  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1       -5.820   2.103   0.107  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -4.350   1.895  -1.722  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.262   1.259  -2.311  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -2.622   0.212  -1.640  0.00  0.00    +0.010 A 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  N   LIG    1       -5.485  -3.014   0.535  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1       -4.357  -2.762   0.633  0.00  0.00    +0.103 C 
ENDBRANCH   1  15
BRANCH   4  16
ATOM     16  N   LIG    1        1.089  -1.917   1.222  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        1.448  -2.738   1.688  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.017  -0.931   0.869  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        1.680   0.260   0.211  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        2.652   1.212  -0.117  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        3.983   0.981   0.224  0.00  0.00    +0.105 A 
ATOM     22  C   LIG    1        4.352  -0.198   0.869  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        3.370  -1.141   1.189  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  S   LIG    1        5.223   2.177  -0.190  0.00  0.00    +0.056 S 
ATOM     25  O   LIG    1        4.703   3.039  -1.227  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        6.493   1.500  -0.306  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1        5.262   3.117   1.207  0.00  0.00    -0.204 NA
ATOM     28  H   LIG    1        4.723   2.719   1.974  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        4.954   4.063   0.975  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6