REMARK  Name = LIG000514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.655   0.487   0.537  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -0.438   0.683   1.173  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -0.218   0.785   2.364  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.585   0.745   0.124  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.038   0.511  -1.103  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.700   0.510  -2.274  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        2.077   0.749  -2.186  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        2.687   0.971  -0.932  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        1.940   0.981   0.248  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.498   0.272  -0.896  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.546  -1.645   1.772  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.452  -1.093   1.717  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.289  -1.816   1.795  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -4.419  -2.819   1.813  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.058  -1.404   1.337  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -2.213  -2.231   1.000  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -2.857   0.119   1.278  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.115   0.764   0.705  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.308   0.405   1.579  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  S   LIG    1        4.428   1.283  -0.858  0.00  0.00    +0.100 S 
ATOM     21  O   LIG    1        4.891   1.724  -2.161  0.00  0.00    -0.146 OA
ATOM     22  O   LIG    1        4.715   2.034   0.350  0.00  0.00    -0.146 OA
BRANCH  20  23
ATOM     23  N   LIG    1        5.128  -0.249  -0.621  0.00  0.00    -0.117 N 
ATOM     24  N   LIG    1        4.659  -1.449  -1.054  0.00  0.00    -0.137 NA
ATOM     25  C   LIG    1        5.659  -2.258  -0.693  0.00  0.00    +0.246 A 
ATOM     26  N   LIG    1        6.727  -1.646  -0.098  0.00  0.00    -0.221 NA
ATOM     27  C   LIG    1        6.375  -0.379  -0.087  0.00  0.00    +0.246 A 
ENDBRANCH  20  23
ENDBRANCH   8  20
TORSDOF 3