REMARK  Name = LIG000613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.049  -0.217  -0.476  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.606  -0.527  -1.708  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.779  -0.657  -1.996  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.494  -0.659  -2.655  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        2.313  -0.339  -1.987  0.00  0.00    -0.003 A 
ATOM      6  C   LIG    1        1.105  -0.379  -2.660  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        1.111  -0.750  -4.012  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.314  -1.068  -4.672  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        3.529  -1.022  -3.989  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.617   0.033  -0.576  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        8.041   1.693   2.806  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.134   1.219   2.129  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        6.440   1.995   1.234  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        6.745   2.955   1.151  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        5.311   1.660   0.522  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        4.701   2.520  -0.113  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.814   0.216   0.688  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        5.975  -0.714   1.042  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.662  -0.206   2.300  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1       -0.122  -0.050  -2.007  0.00  0.00    -0.065 C 
ATOM     21  C   LIG    1       -1.159   0.227  -1.467  0.00  0.00    -0.082 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.430   0.568  -0.818  0.00  0.00    +0.171 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.390  -0.507  -1.042  0.00  0.00    -0.305 NA
ATOM     24  H   LIG    1       -3.021  -1.377  -0.661  0.00  0.00    +0.123 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.708  -0.222  -0.467  0.00  0.00    +0.086 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.764  -0.357   1.063  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.161  -0.138   1.591  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -6.601   1.151   1.924  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -7.899   1.355   2.396  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.768   0.275   2.535  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.343  -1.009   2.202  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.045  -1.216   1.730  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  20
TORSDOF 7