REMARK  Name = LIG000605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.258  -0.451   1.215  0.00  0.00    +0.007 A 
ATOM      2  C   LIG    1       -1.000  -0.735   0.594  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -1.838   0.332   0.920  0.00  0.00    +0.135 A 
ATOM      4  C   LIG    1       -3.169   0.455   0.517  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.638  -0.584  -0.277  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -5.021  -0.750  -0.829  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -4.785  -1.806  -1.917  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -3.602  -2.663  -1.447  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -2.831  -1.673  -0.628  0.00  0.00    -0.043 A 
ATOM     10  O   LIG    1       -1.172   1.232   1.694  0.00  0.00    -0.463 OA
ATOM     11  C   LIG    1       -1.509  -1.781  -0.203  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        0.084   0.754   1.867  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        1.496  -1.283   1.188  0.00  0.00    +0.135 C 
BRANCH  13  16
ATOM     14  N   LIG    1        2.908  -0.429  -0.720  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1        3.199  -0.574  -1.676  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        2.086  -1.383  -0.208  0.00  0.00    +0.223 C 
ATOM     17  O   LIG    1        1.815  -2.351  -0.932  0.00  0.00    -0.275 OA
BRANCH  14  21
ATOM     18  C   LIG    1        5.387   3.982   0.104  0.00  0.00    +0.053 C 
ATOM     19  C   LIG    1        4.570   2.750   0.243  0.00  0.00    +0.008 A 
ATOM     20  S   LIG    1        4.359   1.674  -1.076  0.00  0.00    -0.057 S 
ATOM     21  C   LIG    1        3.381   0.681  -0.089  0.00  0.00    +0.165 A 
ATOM     22  N   LIG    1        3.209   1.075   1.145  0.00  0.00    -0.233 NA
ATOM     23  C   LIG    1        3.885   2.266   1.339  0.00  0.00    +0.124 A 
ENDBRANCH  14  21
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 3