REMARK  Name = LIG001992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.954   0.680   0.460  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -1.864  -0.371   0.266  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -3.202  -0.054   0.132  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -4.361  -0.919  -0.075  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1       -5.454  -0.098  -0.167  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1       -5.112   1.212   0.029  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -5.827   2.194   0.083  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1       -4.309  -2.131  -0.155  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -3.660   1.246   0.193  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -2.805   2.307   0.396  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -1.442   2.010   0.531  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1        5.669  -0.455   0.700  0.00  0.00    +0.403 C 
ATOM     13  N   LIG    1        4.315  -0.469   0.533  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        3.288  -0.201   1.537  0.00  0.00    +0.122 C 
ATOM     15  C   LIG    1        2.388   0.085   0.372  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        1.156  -0.749   0.185  0.00  0.00    +0.116 C 
ATOM     17  N   LIG    1        0.421   0.416   0.615  0.00  0.00    -0.329 N 
ATOM     18  C   LIG    1        1.529   1.311   0.392  0.00  0.00    +0.116 C 
ATOM     19  C   LIG    1        3.514  -0.028  -0.605  0.00  0.00    +0.122 C 
ATOM     20  O   LIG    1        6.217  -0.509   1.793  0.00  0.00    -0.226 OA
BRANCH  12  21
ATOM     21  O   LIG    1        6.304  -0.377  -0.497  0.00  0.00    -0.445 OA
BRANCH  21  23
ATOM     22  C   LIG    1        8.062  -0.266  -2.073  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1        7.752  -0.356  -0.571  0.00  0.00    +0.107 C 
ATOM     24  C   LIG    1        8.328   0.883   0.122  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        8.358  -1.654  -0.024  0.00  0.00    +0.055 C 
ENDBRANCH  21  23
ENDBRANCH  12  21
ENDBRANCH   1  17
BRANCH   5  26
ATOM     26  C   LIG    1       -6.816  -0.606  -0.232  0.00  0.00    +0.171 C 
ATOM     27  C   LIG    1       -7.435  -0.575   1.169  0.00  0.00    +0.240 C 
ATOM     28  O   LIG    1       -6.779  -0.568   2.208  0.00  0.00    -0.273 OA
ATOM     29  N   LIG    1       -8.811  -0.624   1.212  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1       -9.223  -0.617   2.136  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1       -9.691  -0.533   0.163  0.00  0.00    +0.219 C 
ATOM     32  O   LIG    1      -10.904  -0.522   0.352  0.00  0.00    -0.275 OA
ATOM     33  C   LIG    1       -9.091  -0.513  -1.224  0.00  0.00    +0.098 C 
ATOM     34  C   LIG    1       -7.713   0.133  -1.221  0.00  0.00    +0.041 C 
ENDBRANCH   5  26
TORSDOF 4