REMARK  Name = LIG000719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.141   0.166  -0.259  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1        0.159   1.117  -0.460  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.801  -0.820  -0.094  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1        0.533  -2.015  -0.050  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.549   0.624   0.221  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.377   0.343  -0.015  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.632   1.100  -0.882  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.093   1.935  -1.220  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.262   1.106  -0.974  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.663   2.062  -1.466  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.550  -0.142  -0.444  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.220  -0.579   0.855  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.692  -0.857   0.597  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        2.211  -0.370  -0.065  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        2.719   0.594   0.817  0.00  0.00    +0.025 A 
ATOM     16  I   LIG    1        1.595   1.495   2.343  0.00  0.00    -0.043 I 
ATOM     17  C   LIG    1        4.070   0.960   0.737  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        4.910   0.361  -0.205  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.412  -0.613  -1.066  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.068  -0.981  -0.994  0.00  0.00    +0.014 A 
ENDBRANCH   3  14
TORSDOF 2