REMARK  Name = LIG000532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.189   0.288  -0.652  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.818   1.616  -0.810  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.409   2.492  -1.413  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.544   1.788  -0.105  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.223   0.581   0.512  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.060   0.464   1.252  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.220   1.588   1.370  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -0.566   2.801   0.727  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -1.743   2.909  -0.017  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -3.292  -0.427   0.249  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.812  -2.649  -0.717  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.879  -1.867  -0.869  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.673  -0.832   0.007  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -8.290  -0.832   0.809  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.481  -0.170   0.200  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -6.240   0.371   1.276  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.522  -0.186  -1.003  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.504  -1.588  -1.603  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.913  -1.975  -2.026  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        1.071   1.484   2.142  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.120   0.956   1.300  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.032   1.117   0.307  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.317   0.573   1.848  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        3.526   0.590   3.057  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.364   0.140   0.879  0.00  0.00    +0.052 C 
ATOM     26  C   LIG    1        4.001  -0.245  -0.522  0.00  0.00    +0.269 C 
ATOM     27  O   LIG    1        4.994  -0.962  -1.273  0.00  0.00    -0.484 OA
ATOM     28  C   LIG    1        6.294  -0.850  -0.864  0.00  0.00    +0.163 A 
ATOM     29  C   LIG    1        6.659  -0.351   0.391  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        8.011  -0.300   0.746  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1        8.978  -0.744  -0.153  0.00  0.00    +0.127 A 
ATOM     32  C   LIG    1        8.627  -1.246  -1.398  0.00  0.00    +0.080 A 
ATOM     33  F   LIG    1       10.270  -0.690   0.195  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        7.283  -1.299  -1.743  0.00  0.00    +0.168 A 
ATOM     35  F   LIG    1        6.944  -1.788  -2.945  0.00  0.00    -0.202 F 
ATOM     36  C   LIG    1        5.628   0.082   1.323  0.00  0.00    +0.023 C 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4