REMARK  Name = LIG001039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.785  -0.507  -0.471  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.101   0.534  -0.429  0.00  0.00    +0.257 C 
ATOM      3  O   LIG    1       -0.139   1.723  -0.380  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.435  -0.049  -0.353  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        1.280  -1.419  -0.251  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        2.356  -2.280  -0.106  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        3.637  -1.716  -0.063  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.814  -0.324  -0.171  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        2.693   0.506  -0.321  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -0.152  -1.708  -0.307  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -0.630  -2.821  -0.217  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -4.502   2.348  -0.840  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.746   1.468  -0.460  0.00  0.00    +0.222 C 
ATOM     14  N   LIG    1       -3.569   1.100   0.833  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.975   1.609   1.603  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.608   0.155   0.986  0.00  0.00    +0.241 C 
ATOM     17  O   LIG    1       -2.133  -0.203   2.052  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -2.227  -0.358  -0.390  0.00  0.00    +0.179 C 
ATOM     19  C   LIG    1       -2.867   0.638  -1.350  0.00  0.00    +0.128 C 
ENDBRANCH   1  18
BRANCH   9  20
ATOM     20  N   LIG    1        2.872   1.925  -0.481  0.00  0.00    +0.057 N 
ATOM     21  O   LIG    1        2.587   2.400  -1.587  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        3.361   2.537   0.476  0.00  0.00    -0.126 OA
ENDBRANCH   9  20
TORSDOF 2