REMARK  Name = LIG000225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.570   0.527   0.336  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.326  -0.798   0.667  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.128  -1.672   0.933  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.871  -0.984   0.622  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.296   0.203   0.180  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -0.079   0.302   0.039  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -0.875  -0.814   0.353  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -0.267  -2.006   0.797  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        1.123  -2.100   0.933  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.359   1.210  -0.098  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        8.904   1.040  -0.949  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.724   0.981  -0.614  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        6.757   0.580  -1.501  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        7.083   0.313  -2.420  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        5.392   0.613  -1.334  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        4.645   0.389  -2.286  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.893   1.071   0.045  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        5.935   0.767   1.122  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.252   1.429   0.749  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1       -2.263  -0.662   0.195  0.00  0.00    -0.279 N 
ATOM     21  H   LIG    1       -2.608   0.236  -0.138  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -3.266  -1.581   0.429  0.00  0.00    +0.284 C 
ATOM     23  O   LIG    1       -3.127  -2.730   0.832  0.00  0.00    -0.267 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -4.577  -1.027   0.139  0.00  0.00    +0.195 A 
ATOM     25  N   LIG    1       -5.755  -1.716   0.276  0.00  0.00    -0.334 N 
ATOM     26  H   LIG    1       -5.828  -2.673   0.591  0.00  0.00    +0.168 HD
ATOM     27  C   LIG    1       -6.783  -0.885  -0.085  0.00  0.00    +0.067 A 
ATOM     28  C   LIG    1       -6.154   0.306  -0.435  0.00  0.00    +0.090 A 
ATOM     29  C   LIG    1       -6.933   1.391  -0.862  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -8.324   1.238  -0.922  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -8.927   0.029  -0.564  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -8.166  -1.065  -0.135  0.00  0.00    +0.028 A 
ATOM     33  N   LIG    1       -4.790   0.206  -0.292  0.00  0.00    -0.224 NA
ENDBRANCH  22  24
ENDBRANCH   7  20
TORSDOF 3