REMARK  Name = LIG000330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.595  -0.534   0.658  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1       -1.444   0.451   1.678  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1       -2.508   0.876   2.376  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1       -0.216   1.048   1.976  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.870   0.645   1.234  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        2.265   1.070   1.284  0.00  0.00    +0.255 C 
ATOM      7  N   LIG    1        2.936   0.332   0.346  0.00  0.00    -0.222 N 
ATOM      8  C   LIG    1        2.083  -0.478  -0.355  0.00  0.00    +0.255 C 
ATOM      9  O   LIG    1        2.316  -1.198  -1.306  0.00  0.00    -0.270 OA
ATOM     10  O   LIG    1        2.695   1.921   2.038  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        0.758  -0.301   0.235  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -0.448  -0.900  -0.076  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        4.325   0.584  -0.006  0.00  0.00    +0.171 C 
ATOM     14  C   LIG    1        4.375   1.475  -1.251  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1        3.452   2.205  -1.609  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1        5.568   1.470  -1.940  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        5.609   2.066  -2.756  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        6.647   0.642  -1.748  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        7.624   0.695  -2.489  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        6.589  -0.280  -0.551  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        5.156  -0.677  -0.228  0.00  0.00    +0.041 C 
ENDBRANCH   7  13
BRANCH   1  26
ATOM     22  C   LIG    1       -6.312   0.678  -0.761  0.00  0.00    +0.105 C 
ATOM     23  N   LIG    1       -5.709  -0.546  -0.239  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1       -4.788  -1.169  -1.216  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -3.294  -0.815  -1.031  0.00  0.00    +0.120 C 
ATOM     26  N   LIG    1       -2.809  -1.162   0.331  0.00  0.00    -0.325 N 
ATOM     27  C   LIG    1       -3.880  -1.265   1.350  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -5.031  -0.280   1.053  0.00  0.00    +0.103 C 
ENDBRANCH   1  26
TORSDOF 2