REMARK  Name = LIG000798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.929   0.404  -0.418  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.891  -0.401   0.064  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.448  -1.646   0.287  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -1.172  -2.128   0.070  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -1.079  -3.459   0.427  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -2.287  -3.777   0.843  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1       -0.232  -1.217  -0.440  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -3.150  -2.714   0.777  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -0.651   0.056  -0.668  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -4.556  -2.711   1.158  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -4.737  -3.015   2.645  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -5.375  -3.666   0.290  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -2.219   1.730  -0.702  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -1.443   2.069  -1.262  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -3.554   2.026  -1.217  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -2.847   2.147  -3.707  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -3.749   1.508  -2.659  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -3.811   3.543  -1.086  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -5.121   3.902  -1.518  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -5.749   3.504  -0.890  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  N   LIG    1        1.087  -1.605  -0.714  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        1.278  -2.486  -0.239  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.079  -0.559  -0.514  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.473  -1.131  -0.789  0.00  0.00    +0.019 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.592  -0.087  -0.671  0.00  0.00    +0.005 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.385  -0.139   0.657  0.00  0.00    -0.011 C 
ATOM     27  C   LIG    1        4.542   0.166   1.901  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1        4.061   1.617   1.964  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        5.081   2.622   1.427  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        6.496   2.064   1.439  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        6.617   0.795   0.591  0.00  0.00    +0.003 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 11