REMARK  Name = LIG001392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.768  -0.502  -1.397  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.469   0.504  -0.854  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.752   1.631  -0.747  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -0.434   1.819  -1.117  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -0.024   3.109  -0.840  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -1.084   3.692  -0.322  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1        0.227   0.710  -1.669  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -2.156   2.840  -0.248  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -0.482  -0.443  -1.798  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.481   3.151   0.268  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -3.436   3.497   1.756  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -4.156   4.258  -0.541  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -2.361  -1.743  -1.592  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -1.560  -2.346  -1.773  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -3.242  -2.283  -0.546  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -5.681  -2.374   0.185  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -4.587  -1.543  -0.473  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -2.522  -2.400   0.814  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.354  -3.221   0.701  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -1.642  -4.105   0.418  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        1.569   0.781  -2.071  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        2.000   1.583  -1.608  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.335  -0.454  -1.918  0.00  0.00    +0.131 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.701  -0.721  -0.450  0.00  0.00    +0.179 C 
BRANCH  24  25
ATOM     25  O   LIG    1        3.408   0.380   0.142  0.00  0.00    -0.374 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.798   0.428  -0.181  0.00  0.00    +0.195 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.605  -0.572   0.611  0.00  0.00    -0.022 A 
ATOM     28  C   LIG    1        5.379  -0.746   1.985  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        6.141  -1.655   2.720  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.142  -2.393   2.092  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.384  -2.222   0.731  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.622  -1.313  -0.007  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 12