REMARK  Name = LIG000500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.148  -0.134  -0.095  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.073  -0.124  -0.943  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -1.059  -0.182  -2.158  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.121  -0.038  -0.107  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.295   0.040   1.203  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.606   0.146   2.236  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        1.968   0.162   1.896  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        2.430   0.070   0.554  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        1.460  -0.020  -0.459  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -1.756   0.008   1.208  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1       -2.438   0.112   2.209  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -7.538   0.879  -0.365  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -6.348   0.582  -0.409  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.380   1.550  -0.508  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.707   2.506  -0.477  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.013   1.382  -0.499  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.266   2.358  -0.500  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -3.523  -0.069  -0.566  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -4.487  -0.985   0.184  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -5.875  -0.854  -0.424  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1        3.776   0.107   0.262  0.00  0.00    -0.324 N 
ATOM     22  C   LIG    1        4.829  -0.168   1.261  0.00  0.00    +0.180 C 
ATOM     23  C   LIG    1        6.074  -0.501   0.434  0.00  0.00    +0.266 C 
ATOM     24  F   LIG    1        6.199  -1.840   0.270  0.00  0.00    -0.204 F 
ATOM     25  F   LIG    1        7.208  -0.052   1.006  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        5.825   0.162  -0.901  0.00  0.00    +0.096 C 
ATOM     27  C   LIG    1        4.327  -0.046  -1.088  0.00  0.00    +0.111 C 
ENDBRANCH   8  21
TORSDOF 2