REMARK  Name = BDB031642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.199  -0.393  -0.171  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1       -0.827  -0.664  -0.927  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1        5.174   0.454  -2.161  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        3.800   0.254  -1.575  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1        3.536   0.292  -0.179  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        2.220   0.102   0.271  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1        2.254   0.174   1.649  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        1.429   0.106   2.239  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1        3.525   0.413   2.091  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1        1.143  -0.126  -0.600  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1        1.429  -0.193  -1.966  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        4.343   0.489   0.987  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1        2.722   0.003  -2.445  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1        5.752   0.724   1.048  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1        6.897   0.911   1.094  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1       -0.935   0.738   0.853  0.00  0.00    +0.072 S 
ATOM     17  O   LIG    1       -0.392   0.583   2.187  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -0.951   2.015   0.176  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -2.603   0.122   0.881  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1       -3.610   0.787   0.173  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -4.928   0.300   0.206  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -5.205  -0.858   0.952  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.195  -1.510   1.664  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.891  -1.019   1.634  0.00  0.00    +0.029 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -6.016   1.001  -0.573  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1       -5.967   2.355  -0.444  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -7.273   0.634  -0.200  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -5.931   0.747  -1.908  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5