REMARK  Name = LIG000068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.604   0.878   0.419  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.632   0.440  -0.892  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.529   0.548  -1.704  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.357  -0.243  -1.138  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.635  -0.253   0.051  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        0.383  -0.844   0.102  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -0.144  -1.424  -1.067  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        0.611  -1.405  -2.256  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        1.878  -0.811  -2.300  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.418   0.418   1.127  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        8.405   1.957  -0.748  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.298   1.844  -0.227  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.037   0.803   0.626  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        7.781   0.127   0.723  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        5.867   0.506   1.278  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.751  -0.542   1.915  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.715   1.499   1.131  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        5.152   2.865   0.608  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.178   2.811  -0.509  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1       -1.427  -1.999  -0.962  0.00  0.00    -0.285 N 
ATOM     21  H   LIG    1       -1.864  -1.938  -0.049  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -2.200  -2.546  -1.973  0.00  0.00    +0.222 C 
ATOM     23  O   LIG    1       -1.872  -2.661  -3.151  0.00  0.00    -0.275 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -3.544  -3.091  -1.498  0.00  0.00    +0.131 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.282  -2.197  -0.526  0.00  0.00    -0.038 A 
ATOM     26  C   LIG    1       -4.631  -0.887  -0.890  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.289  -0.034   0.011  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1       -5.620  -0.509   1.300  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1       -6.275   0.346   2.201  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -6.597   1.655   1.837  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.273   2.122   0.567  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -5.286  -1.826   1.650  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -5.623   1.284  -0.341  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1       -4.625  -2.663   0.748  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  20
TORSDOF 4