REMARK  Name = LIG000727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.145  -0.628   0.342  0.00  0.00    -0.240 N 
ATOM      2  N   LIG    1        0.586  -1.007   1.507  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1       -0.710  -0.745   1.434  0.00  0.00    -0.134 NA
ATOM      4  C   LIG    1       -0.963  -0.166   0.217  0.00  0.00    +0.086 A 
ATOM      5  C   LIG    1        0.218  -0.062  -0.483  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1        6.261   0.292  -1.425  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        5.168   0.023  -0.938  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        4.256  -0.743  -1.621  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.537  -1.040  -2.547  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        2.999  -1.140  -1.216  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1        2.313  -1.831  -1.964  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1        2.587  -0.724   0.186  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1        3.262   0.593   0.573  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1        4.771   0.453   0.452  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1       -2.341   0.246  -0.178  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -2.997   1.151   0.868  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -4.383   1.596   0.407  0.00  0.00    +0.160 C 
ATOM     18  O   LIG    1       -4.987   0.690  -0.519  0.00  0.00    -0.380 OA
ATOM     19  C   LIG    1       -4.708  -0.670  -0.210  0.00  0.00    +0.160 C 
ATOM     20  C   LIG    1       -3.236  -0.970  -0.467  0.00  0.00    +0.038 C 
ENDBRANCH   4  15
TORSDOF 2