REMARK  Name = LIG000503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.304  -0.045  -0.261  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -0.219  -1.388  -0.214  0.00  0.00    -0.064 NA
ATOM      3  N   LIG    1        1.069  -1.705  -0.249  0.00  0.00    -0.129 NA
ATOM      4  C   LIG    1        1.791  -0.544  -0.312  0.00  0.00    +0.119 A 
ATOM      5  C   LIG    1        0.932   0.530  -0.309  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1       -5.709   0.766  -0.552  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -4.499   0.625  -0.412  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.677   0.417  -1.491  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.139   0.406  -2.391  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -2.307   0.545  -1.530  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -1.737   0.692  -2.609  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1       -1.593   0.620  -0.190  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1       -2.472   0.071   0.938  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -3.819   0.774   0.928  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1        3.345  -0.489  -0.369  0.00  0.00    +0.041 A 
ATOM     16  S   LIG    1        4.265   0.945  -0.439  0.00  0.00    -0.095 S 
ATOM     17  C   LIG    1        5.736   0.070  -0.469  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        5.527  -1.291  -0.427  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        4.140  -1.615  -0.368  0.00  0.00    +0.018 A 
ENDBRANCH   4  15
TORSDOF 2