REMARK  Name = LIG000891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.249  -0.920  -0.350  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -5.134   1.754  -0.528  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -4.105   1.084  -0.509  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -2.934   1.570  -1.036  0.00  0.00    -0.256 N 
ATOM      5  H   LIG    1       -2.972   2.514  -1.397  0.00  0.00    +0.157 HD
ATOM      6  C   LIG    1       -1.738   0.914  -1.184  0.00  0.00    +0.224 C 
ATOM      7  O   LIG    1       -0.798   1.429  -1.785  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -1.689  -0.517  -0.676  0.00  0.00    +0.097 C 
ATOM      9  C   LIG    1       -2.678  -0.725   0.470  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -4.075  -0.334   0.009  0.00  0.00    +0.097 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  S   LIG    1        0.413  -0.118   1.102  0.00  0.00    -0.002 S 
ATOM     12  O   LIG    1        0.193  -1.011   2.225  0.00  0.00    -0.169 OA
ATOM     13  O   LIG    1       -0.053   1.253   1.163  0.00  0.00    -0.169 OA
BRANCH  11  14
ATOM     14  C   LIG    1        2.162  -0.063   0.790  0.00  0.00    +0.088 A 
ATOM     15  C   LIG    1        3.013  -0.980   1.413  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        4.386  -0.915   1.167  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        4.894   0.065   0.311  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        6.587   0.139   0.010  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        4.042   0.987  -0.298  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        2.669   0.929  -0.056  0.00  0.00    +0.028 A 
ENDBRANCH  11  14
ENDBRANCH   1  11
TORSDOF 3