REMARK  Name = LIG001968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.949   0.076  -1.187  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.579   0.985  -2.168  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.110   1.184  -3.243  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.391   1.686  -1.670  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.128   1.231  -0.381  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        1.051   1.733   0.329  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.238   2.709  -0.277  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.524   3.150  -1.592  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.615   2.640  -2.300  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.147   0.219   0.023  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        8.499  -2.545   0.384  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.560  -1.984  -0.172  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.464  -0.616  -0.195  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.169  -0.135   0.348  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.316   0.108  -0.420  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        6.210   1.252   0.015  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.227  -0.623  -1.225  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        5.121  -2.060  -0.725  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.468  -2.750  -0.882  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -0.960   3.252   0.463  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.112   2.398   0.274  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1       -2.490   2.342  -0.663  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -2.413   1.386   1.162  0.00  0.00    +0.218 C 
ATOM     24  O   LIG    1       -1.800   1.212   2.210  0.00  0.00    -0.275 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.582   0.522   0.727  0.00  0.00    +0.096 C 
ATOM     26  C   LIG    1       -3.692  -0.746   1.575  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -4.984  -1.478   1.306  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1       -6.084  -0.805   0.743  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -7.256  -1.527   0.487  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -7.364  -2.872   0.848  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -6.290  -3.519   1.452  0.00  0.00    +0.000 A 
ATOM     32  N   LIG    1       -5.992   0.526   0.299  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1       -6.891   0.999   0.354  0.00  0.00    +0.146 HD
ATOM     34  C   LIG    1       -5.103  -2.825   1.679  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.886   1.302   0.854  0.00  0.00    +0.114 C 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4