REMARK  Name = LIG000933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.372  -0.449   0.317  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.221   0.144  -0.580  0.00  0.00    +0.254 C 
ATOM      3  O   LIG    1        0.968   0.730  -1.615  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.575  -0.039  -0.060  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        2.472  -0.692   1.153  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        3.582  -1.007   1.912  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.830  -0.639   1.399  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.936   0.028   0.161  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.795   0.339  -0.586  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.053  -0.925   1.407  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        0.609  -1.438   2.416  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -4.569   2.339   0.424  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.777   1.419   0.213  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -2.842   1.127   1.166  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -2.937   1.882   1.840  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -1.508   0.991   0.862  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -0.718   1.884   1.162  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.087  -0.371   0.284  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -1.676  -0.696  -1.086  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1       -3.201  -0.717  -1.091  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1       -3.778   0.690  -1.108  0.00  0.00    +0.096 C 
ENDBRANCH   1  18
TORSDOF 1