REMARK  Name = LIG000617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.351   0.843   0.464  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.394  -0.333   0.323  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        1.773  -0.228   0.207  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1        2.796  -1.298   0.026  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.048  -0.555   0.054  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.837   0.813   0.076  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.654   1.704  -0.038  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.393   1.018   0.228  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.688   2.196   0.359  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        0.300   2.095   0.481  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.318  -1.211  -0.240  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        5.713  -0.971  -1.697  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.018  -1.359  -2.637  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        6.861  -0.258  -1.926  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.099  -0.104  -2.896  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.674   0.367  -1.018  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        8.664   0.991  -1.395  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.292   0.276   0.437  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.447  -0.945   0.752  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  O   LIG    1       -1.709   0.928   0.591  0.00  0.00    -0.488 OA
BRANCH  20  26
ATOM     21  N   LIG    1       -4.847   0.634   0.429  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -5.217  -0.215  -0.716  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1       -5.456   0.678  -1.941  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -4.149  -1.284  -1.039  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -2.736  -0.743  -0.857  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -2.504  -0.266   0.585  0.00  0.00    +0.187 C 
ATOM     27  C   LIG    1       -3.839   0.037   1.313  0.00  0.00    +0.129 C 
BRANCH  21  29
ATOM     28  C   LIG    1       -6.786   0.241   2.024  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -5.987   1.207   1.153  0.00  0.00    +0.081 C 
ENDBRANCH  21  29
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 4