REMARK  Name = LIG000487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.629   0.057  -0.224  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        1.615  -0.427   0.617  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        0.309  -0.255   0.201  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.946  -0.630   0.848  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1       -1.954  -0.258  -0.001  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1       -1.466   0.388  -1.105  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -2.070   0.916  -2.018  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1       -1.020  -1.169   1.935  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.008   0.365  -0.993  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        0.964   0.852  -1.843  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.297   0.690  -1.448  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -3.359  -0.329   0.372  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -3.815   1.043   0.879  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.049   1.900   1.317  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.175   1.255   0.882  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -5.481   2.155   1.227  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.152   0.462   0.332  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.329   0.811   0.339  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.709  -0.874  -0.219  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -4.282  -0.810  -0.744  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  23
ATOM     21  C   LIG    1        5.113  -1.393  -1.842  0.00  0.00    +0.070 C 
ATOM     22  C   LIG    1        5.107  -0.702  -0.532  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        4.019  -0.093   0.149  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        4.581   0.385   1.314  0.00  0.00    +0.142 A 
ATOM     25  C   LIG    1        4.081   1.133   2.484  0.00  0.00    +0.090 C 
ATOM     26  O   LIG    1        5.906   0.076   1.329  0.00  0.00    -0.359 OA
ATOM     27  N   LIG    1        6.240  -0.601   0.173  0.00  0.00    -0.083 NA
ENDBRANCH   1  23
TORSDOF 2