REMARK  Name = LIG000116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.015   5.012   1.023  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -2.225   4.344   1.275  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -2.236   2.946   1.189  0.00  0.00    +0.049 A 
ATOM      4  N   LIG    1       -3.263   2.057   1.400  0.00  0.00    -0.339 N 
ATOM      5  H   LIG    1       -4.207   2.296   1.664  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -2.829   0.776   1.217  0.00  0.00    +0.145 A 
ATOM      7  C   LIG    1       -1.494   0.812   0.855  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -0.881  -0.429   0.598  0.00  0.00    +0.132 A 
ATOM      9  N   LIG    1       -1.630  -1.548   0.765  0.00  0.00    -0.216 NA
ATOM     10  C   LIG    1       -2.929  -1.447   1.132  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -3.604  -0.305   1.370  0.00  0.00    -0.214 NA
ATOM     12  C   LIG    1       -1.104   2.194   0.857  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        0.104   2.885   0.620  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        0.136   4.285   0.703  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -1.016   6.499   1.119  0.00  0.00    +0.339 C 
ATOM     16  O   LIG    1       -2.006   7.155   1.403  0.00  0.00    -0.245 OA
BRANCH  15  18
ATOM     17  C   LIG    1        0.292   8.424   0.926  0.00  0.00    +0.280 C 
ATOM     18  O   LIG    1        0.216   7.000   0.850  0.00  0.00    -0.464 OA
ENDBRANCH  15  18
ENDBRANCH   1  15
BRANCH   8  19
ATOM     19  N   LIG    1        0.450  -0.535   0.179  0.00  0.00    -0.328 N 
ATOM     20  H   LIG    1        0.703   0.271  -0.383  0.00  0.00    +0.147 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.817  -1.815  -0.413  0.00  0.00    +0.104 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.287  -1.800  -0.843  0.00  0.00    +0.034 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.236  -1.754   0.364  0.00  0.00    +0.086 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.671  -1.789   0.083  0.00  0.00    -0.302 NA
ATOM     25  C   LIG    1        5.161  -3.004  -0.557  0.00  0.00    +0.084 C 
ATOM     26  C   LIG    1        6.600  -2.642  -0.898  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1        6.619  -1.118  -0.994  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1        5.187  -0.682  -0.712  0.00  0.00    +0.084 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   8  19
BRANCH  10  29
ATOM     29  C   LIG    1       -3.698  -2.740   1.274  0.00  0.00    +0.111 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.312  -3.221  -0.021  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -5.604  -2.820  -0.389  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.165  -3.253  -1.591  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.438  -4.086  -2.440  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.148  -4.483  -2.090  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -3.586  -4.050  -0.888  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 9