REMARK  Name = LIG000597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.899  -1.910  -1.863  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.951  -1.000  -1.039  0.00  0.00    +0.253 C 
ATOM      3  N   LIG    1        0.133  -0.330  -0.511  0.00  0.00    -0.281 N 
ATOM      4  H   LIG    1       -0.074   0.406   0.168  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.282  -0.536  -0.525  0.00  0.00    +0.101 A 
ATOM      6  C   LIG    1       -2.454   0.558   0.475  0.00  0.00    +0.261 A 
ATOM      7  O   LIG    1       -1.495   1.161   0.950  0.00  0.00    -0.267 OA
ATOM      8  N   LIG    1       -3.741   0.866   0.844  0.00  0.00    -0.318 N 
ATOM      9  H   LIG    1       -3.837   1.614   1.526  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.876   0.235   0.355  0.00  0.00    +0.123 A 
ATOM     11  C   LIG    1       -4.716  -0.751  -0.545  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -3.395  -1.137  -0.988  0.00  0.00    +0.020 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -6.226   0.691   0.863  0.00  0.00    +0.432 C 
ATOM     14  F   LIG    1       -7.259   0.003   0.316  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1       -6.319   0.548   2.210  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -6.435   2.005   0.595  0.00  0.00    -0.164 F 
ENDBRANCH  10  13
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        1.500  -0.531  -0.790  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        2.416   0.289  -0.115  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        3.802   0.172  -0.320  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        4.262  -0.793  -1.224  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.358  -1.615  -1.900  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        1.984  -1.484  -1.684  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1        4.707   1.056   0.413  0.00  0.00    +0.179 A 
ATOM     24  N   LIG    1        6.073   1.063   0.323  0.00  0.00    -0.239 N 
ATOM     25  H   LIG    1        6.690   0.492  -0.237  0.00  0.00    +0.192 HD
ATOM     26  N   LIG    1        6.596   1.997   1.127  0.00  0.00    -0.046 NA
ATOM     27  N   LIG    1        5.553   2.564   1.714  0.00  0.00    -0.023 NA
ATOM     28  N   LIG    1        4.380   1.995   1.284  0.00  0.00    -0.108 NA
ENDBRANCH  19  23
ENDBRANCH   3  17
TORSDOF 4