REMARK  Name = LIG001996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.881  -0.339  -0.088  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -0.903   0.203   0.702  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -1.013   0.874   1.710  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.375  -0.150   0.089  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        0.103  -0.852  -1.067  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        1.107  -1.321  -1.886  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        2.426  -1.059  -1.494  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        2.730  -0.337  -0.306  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1        1.668   0.126   0.496  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -1.349  -0.950  -1.192  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1       -1.924  -1.489  -2.118  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -6.681   1.879   1.393  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.675   1.282   1.020  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -4.831   1.832   0.088  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.057   2.771  -0.214  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -3.637   1.325  -0.374  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -2.934   1.983  -1.139  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -3.308  -0.104   0.070  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -3.833  -0.350   1.482  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -5.335  -0.108   1.506  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        4.127  -0.078   0.075  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.581   1.202   0.400  0.00  0.00    +0.119 A 
ATOM     23  N   LIG    1        5.852   1.505   0.762  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        6.730   0.483   0.803  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        6.395  -0.825   0.501  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.080  -1.104   0.133  0.00  0.00    +0.011 A 
ENDBRANCH   8  21
TORSDOF 2