REMARK  Name = LIG001451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.304   1.957   0.878  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.399   0.518   0.592  0.00  0.00    -0.275 N 
ATOM      3  H   LIG    1       -1.649   0.233  -0.350  0.00  0.00    +0.152 HD
ATOM      4  C   LIG    1       -1.801  -0.382   1.534  0.00  0.00    +0.401 C 
ATOM      5  O   LIG    1       -1.865  -0.157   2.730  0.00  0.00    -0.226 OA
BRANCH   4   6
ATOM      6  O   LIG    1       -2.089  -1.547   0.917  0.00  0.00    -0.445 OA
BRANCH   6   7
ATOM      7  C   LIG    1       -2.537  -2.699   1.678  0.00  0.00    +0.107 C 
ATOM      8  C   LIG    1       -2.759  -3.797   0.627  0.00  0.00    +0.055 C 
ATOM      9  C   LIG    1       -3.868  -2.418   2.383  0.00  0.00    +0.055 C 
ATOM     10  C   LIG    1       -1.456  -3.170   2.658  0.00  0.00    +0.055 C 
ENDBRANCH   6   7
ENDBRANCH   4   6
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1       -0.157   2.317   1.858  0.00  0.00    +0.220 C 
BRANCH  11  14
ATOM     12  N   LIG    1        1.494   0.748   0.899  0.00  0.00    -0.300 N 
ATOM     13  H   LIG    1        0.668   0.178   0.726  0.00  0.00    +0.150 HD
ATOM     14  C   LIG    1        1.243   2.049   1.268  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        2.082   2.945   1.179  0.00  0.00    -0.273 OA
BRANCH  12  16
ATOM     16  C   LIG    1        2.682   0.399   0.113  0.00  0.00    +0.182 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.308   0.577  -1.364  0.00  0.00    +0.327 C 
ATOM     18  O   LIG    1        1.191   0.355  -1.824  0.00  0.00    -0.249 OA
BRANCH  17  20
ATOM     19  C   LIG    1        3.112   1.189  -3.476  0.00  0.00    +0.280 C 
ATOM     20  O   LIG    1        3.385   0.985  -2.090  0.00  0.00    -0.467 OA
ENDBRANCH  17  20
ENDBRANCH  16  17
BRANCH  16  21
ATOM     21  C   LIG    1        3.075  -1.055   0.405  0.00  0.00    +0.036 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.378  -1.537  -0.264  0.00  0.00    -0.015 C 
ATOM     23  C   LIG    1        4.598  -3.020   0.048  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1        5.598  -0.732   0.183  0.00  0.00    +0.007 C 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH  12  16
ENDBRANCH  11  14
BRANCH  11  25
ATOM     25  O   LIG    1       -0.270   3.700   2.221  0.00  0.00    -0.381 OA
ATOM     26  H   LIG    1        0.645   4.012   2.379  0.00  0.00    +0.211 HD
ENDBRANCH  11  25
ENDBRANCH   1  11
BRANCH   1  27
ATOM     27  C   LIG    1       -1.194   2.787  -0.427  0.00  0.00    +0.060 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.354   2.573  -1.375  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1       -3.624   3.083  -1.073  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.696   2.868  -1.941  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.509   2.143  -3.116  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.249   1.635  -3.428  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.175   1.849  -2.563  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 13