REMARK  Name = LIG000641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.021   1.015   0.150  0.00  0.00    +0.108 A 
ATOM      2  C   LIG    1       -1.187   0.068   0.768  0.00  0.00    +0.179 A 
ATOM      3  C   LIG    1        0.157  -0.072   0.385  0.00  0.00    +0.179 A 
ATOM      4  F   LIG    1        0.901  -1.016   0.988  0.00  0.00    -0.201 F 
ATOM      5  C   LIG    1        0.721   0.761  -0.582  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -0.079   1.746  -1.167  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -1.416   1.865  -0.795  0.00  0.00    +0.149 A 
ATOM      8  F   LIG    1       -2.161   2.812  -1.389  0.00  0.00    -0.203 F 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.143   0.662  -1.012  0.00  0.00    +0.248 C 
ATOM     10  N   LIG    1        2.906  -0.357  -0.482  0.00  0.00    -0.300 N 
ATOM     11  H   LIG    1        2.527  -0.847   0.323  0.00  0.00    +0.150 HD
ATOM     12  O   LIG    1        2.592   1.472  -1.817  0.00  0.00    -0.270 OA
BRANCH  10  13
ATOM     13  C   LIG    1        4.356  -0.336  -0.608  0.00  0.00    +0.160 C 
ATOM     14  C   LIG    1        4.985   0.245   0.667  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1        4.351   0.831   1.543  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1        6.341   0.052   0.794  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        6.740   0.422   1.647  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        7.037  -1.001   0.258  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        8.113  -1.355   0.731  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        6.420  -1.679  -0.944  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        4.904  -1.741  -0.824  0.00  0.00    +0.041 C 
ENDBRANCH  10  13
ENDBRANCH   5   9
BRANCH   1  22
ATOM     22  N   LIG    1       -3.375   1.243   0.479  0.00  0.00    -0.339 N 
ATOM     23  H   LIG    1       -3.790   1.879  -0.203  0.00  0.00    +0.146 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.216   0.083   0.768  0.00  0.00    +0.102 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.699   0.424   0.572  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -5.601   1.037  -1.921  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -6.227   0.167  -0.844  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   2  28
ATOM     28  O   LIG    1       -1.668  -0.777   1.741  0.00  0.00    -0.490 OA
ATOM     29  C   LIG    1       -1.398  -0.227   3.033  0.00  0.00    +0.277 C 
ENDBRANCH   2  28
TORSDOF 7