REMARK  Name = LIG001820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.119   0.041   0.572  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.957  -0.223   1.375  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1        1.003  -0.508   2.558  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.147  -0.089   0.550  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1        1.736   0.225  -0.730  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        2.638   0.415  -1.759  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        3.997   0.281  -1.450  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        4.415  -0.039  -0.140  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        3.478  -0.228   0.873  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        0.276   0.284  -0.715  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -0.408   0.487  -1.698  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -4.960  -0.487  -1.265  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.957  -0.326  -0.575  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.373  -1.385   0.066  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.743  -2.277  -0.236  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.062  -1.412   0.461  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.405  -2.448   0.384  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.498  -0.102   1.019  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -2.391   1.114   0.770  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.256   1.006  -0.475  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  O   LIG    1        3.908  -0.539   2.126  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1        3.125  -0.668   2.703  0.00  0.00    +0.292 HD
ENDBRANCH   9  21
TORSDOF 2