REMARK  Name = LIG000997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.183   0.066  -0.285  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -1.247  -1.175  -0.900  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.230  -1.834  -1.175  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.135  -1.593  -1.158  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        0.587  -2.719  -1.818  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        1.966  -2.881  -1.930  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.845  -1.927  -1.381  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        2.372  -0.786  -0.701  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1        0.992  -0.639  -0.607  0.00  0.00    -0.010 A 
ATOM     10  C   LIG    1        0.186   0.441   0.039  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.062   1.094   2.061  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.978   0.935   1.506  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -3.977   0.212   2.105  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -4.203  -0.198   3.000  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -2.675   0.063   1.685  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -1.847  -0.486   2.413  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -2.318   0.730   0.348  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.552   0.832  -0.548  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.645   1.592   0.187  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        3.301   0.189  -0.127  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1        4.084   1.005  -0.949  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        4.942   1.920  -0.360  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1        5.074   2.074   0.974  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        4.320   1.272   1.754  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        3.432   0.330   1.259  0.00  0.00    +0.028 A 
ENDBRANCH   8  20
TORSDOF 2