REMARK  Name = LIG001235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.189   0.341   0.032  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.981  -0.660   0.526  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        0.664  -1.690   1.087  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.353  -0.281   0.232  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        2.333   0.905  -0.466  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        3.487   1.517  -0.901  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        4.660   0.854  -0.580  0.00  0.00    +0.111 A 
ATOM      8  N   LIG    1        4.715  -0.322   0.113  0.00  0.00    -0.262 NA
ATOM      9  C   LIG    1        3.546  -0.885   0.509  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1        0.933   1.292  -0.616  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        0.558   2.284  -1.210  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -4.993  -1.473  -0.033  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.885  -0.946  -0.013  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -2.995  -1.128  -1.042  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.287  -1.768  -1.769  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -1.696  -0.678  -1.124  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -0.975  -1.020  -2.060  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.265   0.304  -0.030  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -1.942  -0.051   1.290  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.452  -0.020   1.101  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 1