REMARK  Name = LIG001119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.197  -2.173   2.186  0.00  0.00    +0.059 A 
ATOM      2  N   LIG    1        0.025  -1.747   0.883  0.00  0.00    -0.229 NA
ATOM      3  C   LIG    1        1.310  -1.576   0.635  0.00  0.00    +0.164 A 
ATOM      4  S   LIG    1        2.316  -1.932   1.992  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1        0.949  -2.331   2.934  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   3   6
ATOM      6  N   LIG    1        1.709  -1.106  -0.566  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1        1.008  -0.570  -1.069  0.00  0.00    +0.155 HD
BRANCH   6   8
ATOM      8  C   LIG    1        2.956  -0.799  -1.097  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1        2.933   0.161  -2.050  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1        4.093   0.539  -2.639  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        4.016   1.622  -3.672  0.00  0.00    +0.065 C 
ATOM     12  C   LIG    1        5.313  -0.037  -2.320  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        5.334  -1.043  -1.366  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.143  -1.431  -0.753  0.00  0.00    +0.044 A 
ENDBRANCH   6   8
ENDBRANCH   3   6
BRANCH   1  15
ATOM     15  C   LIG    1       -1.605  -2.405   2.625  0.00  0.00    +0.152 C 
BRANCH  15  18
ATOM     16  N   LIG    1       -2.313  -0.312   1.601  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1       -1.601  -0.580   0.916  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -2.420  -1.122   2.715  0.00  0.00    +0.223 C 
ATOM     19  O   LIG    1       -3.142  -0.919   3.690  0.00  0.00    -0.275 OA
BRANCH  16  21
ATOM     20  C   LIG    1       -2.633   1.588   0.129  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -2.968   0.908   1.321  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1       -3.931   1.466   2.167  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -4.545   2.680   1.845  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.200   3.354   0.677  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.245   2.811  -0.179  0.00  0.00    +0.016 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -2.507  -0.152  -1.978  0.00  0.00    +0.090 C 
ATOM     27  S   LIG    1       -1.421   0.949  -1.033  0.00  0.00    -0.127 S 
ENDBRANCH  20  27
ENDBRANCH  16  21
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6