REMARK  Name = LIG000725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.078   0.250   0.494  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -2.915   0.287   1.217  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -2.766   0.447   2.413  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.824   0.096   0.266  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.386  -0.085  -0.980  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -1.610  -0.283  -2.101  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -0.219  -0.297  -1.923  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        0.377  -0.148  -0.646  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.456   0.084   0.462  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -3.837  -0.015  -0.826  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1       -4.629  -0.189  -1.732  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -9.419  -0.600   1.444  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -8.227  -0.329   1.334  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -7.268  -1.309   1.413  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.611  -2.256   1.502  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.909  -1.177   1.235  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -5.183  -2.169   1.234  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -5.392   0.261   1.118  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -6.420   1.133   0.402  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -7.733   1.090   1.169  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1        1.759  -0.084  -0.453  0.00  0.00    -0.340 N 
ATOM     22  H   LIG    1        2.034  -0.312   0.501  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.664  -0.664  -1.437  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.075  -0.624  -0.898  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.753   0.600  -0.783  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        6.061   0.664  -0.274  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        6.703  -0.527   0.134  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1        8.011  -0.463   0.642  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        8.676   0.760   0.748  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.043   1.933   0.348  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.019  -1.747   0.024  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1        6.744   1.886  -0.160  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1        4.718  -1.796  -0.483  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 4