REMARK  Name = LIG000215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.799  -1.708  -1.032  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -3.545  -0.354  -0.444  0.00  0.00    -0.045 A 
ATOM      3  C   LIG    1       -2.264   0.060  -0.100  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -0.959  -0.661  -0.212  0.00  0.00    +0.145 C 
ATOM      5  N   LIG    1       -0.015   0.281   0.377  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -0.616   1.494   0.683  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -0.080   2.510   1.081  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.051   1.336   0.424  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -3.070   2.246   0.624  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -4.360   1.845   0.281  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.594   0.561  -0.248  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.440   0.143   0.289  0.00  0.00    +0.163 C 
ATOM     13  C   LIG    1        1.947   0.509  -1.116  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        1.220   0.556  -2.110  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        3.297   0.765  -1.268  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        3.527   1.147  -2.177  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.405   0.545  -0.482  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        5.499   0.973  -0.848  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        4.257  -0.215   0.817  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1        3.420  -1.476   0.651  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1        1.911  -1.242   0.733  0.00  0.00    +0.032 C 
ENDBRANCH   5  12
TORSDOF 1