REMARK  Name = BDB058892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.360  -1.154   0.460  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.397  -2.185   0.517  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1       -2.581  -2.698   0.804  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -2.792  -1.487   0.753  0.00  0.00    +0.262 C 
ATOM      5  N   LIG    1       -1.754  -0.572   0.752  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1       -1.905   0.379   0.405  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1       -4.181  -0.964   0.676  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -4.471   0.398   0.586  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -3.477   1.302   0.558  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -5.795   0.836   0.519  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -6.155   2.517   0.411  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -6.844  -0.085   0.541  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -6.565  -1.448   0.628  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.240  -1.886   0.696  0.00  0.00    +0.016 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  S   LIG    1        0.248  -0.734  -1.086  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        0.210  -1.931  -1.896  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1       -0.414   0.490  -1.495  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1        1.934  -0.356  -0.700  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1        2.246   0.897  -0.162  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        3.578   1.223   0.134  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        4.599   0.277  -0.125  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        5.931   0.607   0.173  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        6.253   1.852   0.718  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.248   2.781   0.971  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.263  -0.971  -0.676  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        3.919   2.470   0.681  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        2.936  -1.289  -0.968  0.00  0.00    +0.029 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4