REMARK  Name = LIG000626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.979   0.112   0.693  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.456   1.189   1.395  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.061   2.037   2.021  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.999   1.123   1.245  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.696   0.058   0.402  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        0.623  -0.226   0.083  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        1.642   0.573   0.632  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        1.307   1.647   1.481  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -0.027   1.932   1.795  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -1.952  -0.612  -0.045  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -7.706  -1.266  -1.702  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.787  -0.842  -1.006  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.060   0.258  -1.387  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.292   0.614  -2.305  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.784   0.552  -0.966  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.029   1.204  -1.683  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.405  -0.008   0.416  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.900  -1.448   0.518  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.406  -1.481   0.309  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        2.968   0.246   0.272  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        3.069  -0.540  -0.355  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        4.133   0.821   0.751  0.00  0.00    +0.248 C 
ATOM     23  O   LIG    1        4.228   1.663   1.635  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1        5.388   0.304   0.137  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        5.453  -0.052  -1.214  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1        6.653  -0.525  -1.734  0.00  0.00    +0.124 A 
ATOM     27  F   LIG    1        6.715  -0.871  -3.026  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        7.790  -0.642  -0.941  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        7.733  -0.269   0.401  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.535   0.207   0.939  0.00  0.00    +0.013 A 
ENDBRANCH  22  24
ENDBRANCH   7  20
TORSDOF 3