REMARK  Name = LIG000888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.254   1.961   2.110  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -2.834   1.165   1.079  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1       -1.461   1.306   1.056  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -0.774   0.584   0.070  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1       -1.512  -0.196  -0.764  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1       -2.859  -0.260  -0.655  0.00  0.00    +0.222 A 
ATOM      7  N   LIG    1       -1.034   2.151   2.061  0.00  0.00    -0.231 NA
ATOM      8  N   LIG    1       -3.580   0.410   0.264  0.00  0.00    -0.195 NA
ATOM      9  C   LIG    1       -2.138   2.530   2.669  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1       -3.544  -1.049  -1.556  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -4.969  -1.287  -1.327  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1       -5.543  -2.116  -2.486  0.00  0.00    +0.179 C 
ATOM     13  O   LIG    1       -4.910  -3.395  -2.650  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1       -3.540  -3.416  -2.221  0.00  0.00    +0.179 C 
ATOM     15  C   LIG    1       -2.824  -2.059  -2.334  0.00  0.00    +0.136 C 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     16  C   LIG    1       -5.274   0.901   3.073  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -4.622   2.183   2.554  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -5.477   2.851   1.477  0.00  0.00    +0.030 C 
ENDBRANCH   1  17
BRANCH   4  19
ATOM     19  N   LIG    1        0.616   0.662  -0.060  0.00  0.00    -0.323 N 
ATOM     20  H   LIG    1        1.029   1.058   0.782  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.248  -0.544  -0.553  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.748  -0.389  -0.470  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.484  -1.032   0.531  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.874  -0.875   0.607  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        5.574  -0.070  -0.311  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.815   0.586  -1.297  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        3.427   0.431  -1.378  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.042   0.102  -0.250  0.00  0.00    +0.071 A 
ATOM     29  N   LIG    1        7.516   1.299  -0.685  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1        8.851   1.507  -0.646  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        9.764   0.571  -0.198  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        9.279  -0.655   0.235  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        7.905  -0.895   0.208  0.00  0.00    +0.028 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 6