REMARK  Name = LIG000746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.084   0.528   0.576  0.00  0.00    +0.194 C 
ATOM      2  N   LIG    1       -1.507   0.203   0.452  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1       -2.316   1.321   0.527  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -3.529   1.367   0.595  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -1.426   2.484   0.556  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1       -1.769   3.824   0.577  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -0.728   4.751   0.611  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.610   4.320   0.627  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        0.931   2.956   0.610  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.104   2.034   0.569  0.00  0.00    -0.006 A 
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -2.015  -1.163   0.459  0.00  0.00    +0.164 C 
ATOM     12  C   LIG    1       -2.936  -1.434  -0.749  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -2.875  -0.840  -1.823  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -3.824  -2.478  -0.596  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.418  -2.658  -1.393  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.066  -3.229   0.525  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -4.913  -4.118   0.526  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -3.190  -2.956   1.724  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -2.735  -1.506   1.761  0.00  0.00    +0.041 C 
ENDBRANCH   2  11
BRANCH   1  22
ATOM     20  N   LIG    1        2.178  -0.045  -0.199  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        2.445   0.306   0.712  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        0.827  -0.090  -0.511  0.00  0.00    +0.239 C 
ATOM     23  O   LIG    1        0.396  -0.607  -1.536  0.00  0.00    -0.273 OA
BRANCH  20  25
ATOM     24  C   LIG    1        3.267   0.136  -2.421  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        3.254  -0.570  -1.056  0.00  0.00    +0.026 C 
ATOM     26  C   LIG    1        4.597  -0.288  -0.356  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1        3.116  -2.089  -1.244  0.00  0.00    +0.031 C 
ENDBRANCH  20  25
ENDBRANCH   1  22
TORSDOF 3