REMARK  Name = LIG000518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.648   2.139   0.663  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1       -1.973   0.963   0.397  0.00  0.00    +0.172 A 
ATOM      3  C   LIG    1       -0.633   1.294   0.443  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        0.281   0.259   0.202  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1       -0.221  -0.975  -0.056  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1       -1.554  -1.199  -0.080  0.00  0.00    +0.222 A 
ATOM      7  N   LIG    1       -0.452   2.631   0.714  0.00  0.00    -0.230 NA
ATOM      8  N   LIG    1       -2.483  -0.254   0.145  0.00  0.00    -0.194 NA
ATOM      9  C   LIG    1       -1.674   3.102   0.843  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -7.155   4.108   1.177  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -6.044   3.212   0.966  0.00  0.00    -0.272 N 
ATOM     12  N   LIG    1       -6.282   1.915   0.702  0.00  0.00    -0.178 NA
ATOM     13  C   LIG    1       -5.063   1.386   0.565  0.00  0.00    +0.160 A 
ATOM     14  C   LIG    1       -4.048   2.345   0.739  0.00  0.00    +0.087 A 
ATOM     15  C   LIG    1       -4.714   3.524   1.000  0.00  0.00    +0.134 A 
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  N   LIG    1       -1.990  -2.483  -0.327  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1       -1.078  -3.455  -0.938  0.00  0.00    +0.136 C 
ATOM     18  C   LIG    1       -1.765  -4.144  -2.128  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -2.989  -4.814  -1.791  0.00  0.00    -0.377 OA
ATOM     20  C   LIG    1       -3.687  -4.213  -0.689  0.00  0.00    +0.179 C 
ATOM     21  C   LIG    1       -3.421  -2.708  -0.533  0.00  0.00    +0.136 C 
ENDBRANCH   6  16
BRANCH   4  22
ATOM     22  N   LIG    1        1.665   0.480   0.243  0.00  0.00    -0.320 N 
ATOM     23  H   LIG    1        1.836   1.483   0.154  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.415  -0.312  -0.726  0.00  0.00    +0.177 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.893  -0.104  -0.621  0.00  0.00    +0.125 A 
ATOM     26  N   LIG    1        4.527  -0.119   0.599  0.00  0.00    -0.341 N 
ATOM     27  H   LIG    1        4.060  -0.243   1.486  0.00  0.00    +0.167 HD
ATOM     28  C   LIG    1        5.864   0.096   0.394  0.00  0.00    +0.066 A 
ATOM     29  C   LIG    1        5.979   0.236  -0.986  0.00  0.00    +0.093 A 
ATOM     30  C   LIG    1        7.241   0.472  -1.548  0.00  0.00    +0.075 A 
ATOM     31  C   LIG    1        8.338   0.559  -0.689  0.00  0.00    +0.119 A 
ATOM     32  C   LIG    1        8.204   0.418   0.692  0.00  0.00    +0.047 A 
ATOM     33  C   LIG    1        6.949   0.181   1.269  0.00  0.00    +0.031 A 
ATOM     34  N   LIG    1        4.753   0.111  -1.596  0.00  0.00    -0.231 NA
BRANCH  31  35
ATOM     35  O   LIG    1        9.561   0.789  -1.255  0.00  0.00    -0.507 OA
ATOM     36  H   LIG    1       10.229   0.826  -0.551  0.00  0.00    +0.292 HD
ENDBRANCH  31  35
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 6