REMARK  Name = LIG000960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.371  -0.334  -1.416  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -1.534   0.465  -0.655  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -1.377   0.451   0.551  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.820   1.361  -1.582  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.312   1.105  -2.865  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.818   1.791  -3.960  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.186   2.737  -3.744  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.671   2.994  -2.447  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.170   2.305  -1.329  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1       -2.384   0.069  -2.813  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.066  -2.705   1.916  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.230  -2.248   1.142  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.379  -0.996   0.600  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.189  -0.474   0.908  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.607  -0.393  -0.366  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.945   0.687  -0.848  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.405  -1.207  -0.870  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.904  -2.151   0.222  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.043  -3.055   0.669  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   9  20
ATOM     20  C   LIG    1        0.664   2.634   0.053  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.179   1.476   0.744  0.00  0.00    -0.306 N 
ATOM     22  H   LIG    1        0.503   0.725   0.903  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.160   1.595   1.718  0.00  0.00    +0.288 C 
ATOM     24  O   LIG    1        2.764   2.651   1.917  0.00  0.00    -0.269 OA
BRANCH  23  25
ATOM     25  C   LIG    1        2.439   0.280   2.509  0.00  0.00    +0.348 C 
ATOM     26  F   LIG    1        2.275   0.498   3.854  0.00  0.00    -0.190 F 
ATOM     27  F   LIG    1        1.483  -0.663   2.206  0.00  0.00    -0.190 F 
BRANCH  25  28
ATOM     28  C   LIG    1        3.833  -0.236   2.189  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        4.939   0.182   2.946  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        6.221  -0.276   2.639  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.411  -1.156   1.575  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.322  -1.577   0.814  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.038  -1.119   1.117  0.00  0.00    +0.010 A 
ENDBRANCH  25  28
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   9  20
TORSDOF 5