REMARK  Name = LIG000128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.872   0.075  -0.693  0.00  0.00    +0.283 C 
ATOM      2  N   LIG    1       -1.204  -1.090  -0.330  0.00  0.00    -0.273 N 
ATOM      3  C   LIG    1        0.145  -1.319  -0.834  0.00  0.00    +0.173 C 
ATOM      4  C   LIG    1        0.399  -2.821  -0.851  0.00  0.00    +0.102 C 
ATOM      5  S   LIG    1       -0.607  -3.514   0.489  0.00  0.00    -0.139 S 
ATOM      6  C   LIG    1       -1.618  -2.024   0.692  0.00  0.00    +0.178 C 
ATOM      7  O   LIG    1       -1.427   0.768  -1.611  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -6.454   1.538  -0.486  0.00  0.00    +0.086 C 
ATOM      9  C   LIG    1       -5.186   1.096   0.126  0.00  0.00    +0.103 A 
ATOM     10  O   LIG    1       -4.171   0.810  -0.735  0.00  0.00    -0.455 OA
ATOM     11  C   LIG    1       -3.091   0.419   0.012  0.00  0.00    +0.190 A 
ATOM     12  C   LIG    1       -3.422   0.485   1.354  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -4.771   0.909   1.425  0.00  0.00    +0.045 A 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.190  -0.592   0.046  0.00  0.00    +0.240 C 
ATOM     15  N   LIG    1        2.384  -0.391  -0.620  0.00  0.00    -0.263 N 
ATOM     16  H   LIG    1        2.466  -0.555  -1.612  0.00  0.00    +0.157 HD
ATOM     17  O   LIG    1        0.943  -0.285   1.210  0.00  0.00    -0.273 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.473   0.171  -0.016  0.00  0.00    +0.165 A 
ATOM     19  S   LIG    1        4.790   0.431  -1.072  0.00  0.00    -0.057 S 
ATOM     20  C   LIG    1        5.691   1.078   0.237  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        7.077   1.573   0.046  0.00  0.00    +0.053 C 
ATOM     22  C   LIG    1        4.920   1.040   1.382  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1        3.652   0.513   1.232  0.00  0.00    -0.233 NA
ENDBRANCH  15  18
ENDBRANCH   3  14
TORSDOF 3