REMARK  Name = LIG001943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.325   1.336  -0.022  0.00  0.00    +0.230 C 
ATOM      2  N   LIG    1        0.770   0.343  -0.866  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        0.089  -0.157  -1.430  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        1.086   2.163   0.474  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.148   0.319  -1.319  0.00  0.00    +0.168 C 
ATOM      6  C   LIG    1        2.356  -0.784  -2.338  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        1.551  -1.131  -3.188  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.578  -1.330  -2.126  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        3.944  -2.098  -2.667  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.085  -0.995  -0.914  0.00  0.00    +0.221 C 
ATOM     11  O   LIG    1        5.096  -1.472  -0.426  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.173  -0.010  -0.240  0.00  0.00    +0.128 C 
ENDBRANCH   2   5
BRANCH   1  13
ATOM     13  C   LIG    1       -1.196   1.354   0.233  0.00  0.00    +0.138 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -1.904   1.701  -1.012  0.00  0.00    -0.320 NA
ATOM     15  H   LIG    1       -1.710   1.023  -1.746  0.00  0.00    +0.119 HD
ATOM     16  H   LIG    1       -1.554   2.600  -1.351  0.00  0.00    +0.119 HD
ENDBRANCH  13  14
BRANCH  13  17
ATOM     17  C   LIG    1       -1.680   0.017   0.812  0.00  0.00    +0.038 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.135   0.085   1.271  0.00  0.00    +0.071 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.895  -1.369   3.626  0.00  0.00    +0.084 C 
ATOM     20  S   LIG    1       -3.682  -1.498   2.000  0.00  0.00    -0.164 S 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   1  13
TORSDOF 6