REMARK  Name = LIG001136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.674  -0.256   1.857  0.00  0.00    +0.016 C 
ATOM      2  C   LIG    1        2.948  -0.337   0.333  0.00  0.00    -0.008 C 
ATOM      3  C   LIG    1        1.608  -0.353  -0.520  0.00  0.00    +0.003 C 
ATOM      4  C   LIG    1        0.482  -1.229   0.064  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -0.534  -0.438   0.885  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -1.294   0.642   0.080  0.00  0.00    +0.012 C 
ATOM      7  C   LIG    1       -0.430   1.185  -1.107  0.00  0.00    +0.008 C 
ATOM      8  C   LIG    1       -0.934   0.459  -2.363  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -2.291   0.005  -1.971  0.00  0.00    -0.004 C 
ATOM     10  C   LIG    1       -2.534   0.093  -0.652  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1       -1.665   1.833   0.991  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        1.104   1.055  -0.972  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1        1.737   2.215  -0.185  0.00  0.00    +0.031 C 
ATOM     14  C   LIG    1        3.229   2.072  -0.220  0.00  0.00    -0.027 C 
ATOM     15  C   LIG    1        3.806   0.867  -0.061  0.00  0.00    -0.065 C 
ATOM     16  C   LIG    1        5.281   0.657  -0.327  0.00  0.00    +0.062 C 
ATOM     17  C   LIG    1        5.937  -0.393   0.576  0.00  0.00    +0.119 C 
ATOM     18  C   LIG    1        5.120  -1.680   0.739  0.00  0.00    +0.032 C 
ATOM     19  C   LIG    1        3.750  -1.637   0.048  0.00  0.00    +0.014 C 
ENDROOT
BRANCH  10  20
ATOM     20  N   LIG    1       -3.740  -0.280  -0.007  0.00  0.00    -0.302 N 
ATOM     21  C   LIG    1       -5.010  -0.494  -0.566  0.00  0.00    +0.073 A 
ATOM     22  C   LIG    1       -5.809  -0.929   0.493  0.00  0.00    +0.089 A 
ATOM     23  C   LIG    1       -7.156  -1.261   0.274  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -7.691  -1.124  -1.009  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -6.902  -0.649  -2.052  0.00  0.00    +0.002 A 
ATOM     26  N   LIG    1       -5.117  -0.945   1.665  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1       -5.556  -0.318  -1.851  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -3.916  -0.528   1.346  0.00  0.00    +0.205 A 
ENDBRANCH  10  20
BRANCH  17  29
ATOM     29  O   LIG    1        6.223   0.162   1.862  0.00  0.00    -0.391 OA
ATOM     30  H   LIG    1        5.481   0.741   2.108  0.00  0.00    +0.210 HD
ENDBRANCH  17  29
TORSDOF 2