NAME LIG # *OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] IO_STRING LIG Z TYPE LIGAND AA UNK ATOM O1 OOC X -0.4449170 ATOM C1 COO X 0.3063008 ATOM O2 OOC X -0.2522676 ATOM C2 CH2 X 0.0455328 ATOM C3 CH2 X -0.0427830 ATOM C4 CH2 X -0.0527581 ATOM C5 CH2 X -0.0535532 ATOM C6 CH2 X -0.0561714 ATOM C7 CH3 X -0.0653824 ATOM H1 Hapo X 0.0385082 ATOM H2 Hapo X 0.0385082 ATOM H3 Hapo X 0.0272329 ATOM H4 Hapo X 0.0272329 ATOM H5 Hapo X 0.0266682 ATOM H6 Hapo X 0.0266682 ATOM H7 Hapo X 0.0266431 ATOM H8 Hapo X 0.0266431 ATOM H9 Hapo X 0.0263708 ATOM H10 Hapo X 0.0263708 ATOM H11 Hapo X 0.0230353 ATOM H12 Hapo X 0.0230353 ATOM H13 Hapo X 0.0230353 BOND O1 C1 BOND_TYPE C1 O2 2 BOND C1 C2 BOND C2 C3 BOND C3 C4 BOND C4 C5 BOND C5 C6 BOND C6 C7 BOND C2 H1 BOND C2 H2 BOND C3 H3 BOND C3 H4 BOND C4 H5 BOND C4 H6 BOND C5 H7 BOND C5 H8 BOND C6 H9 BOND C6 H10 BOND C7 H11 BOND C7 H12 BOND C7 H13 CHI 1 O1 C1 C2 C3 CHI 2 C1 C2 C3 C4 CHI 3 C2 C3 C4 C5 CHI 4 C3 C4 C5 C6 CHI 5 C4 C5 C6 C7 CHI 6 C5 C6 C7 H11 CONNECT O1 NBR_ATOM C4 NBR_RADIUS 5.216796081209962 ICOOR_INTERNAL O1 0.000000 0.000000 0.000000 O1 C1 O2 ICOOR_INTERNAL C1 0.000000 180.000000 1.371681 O1 C1 O2 ICOOR_INTERNAL O2 -0.000000 52.274328 1.225929 C1 O1 O2 ICOOR_INTERNAL C2 178.173885 71.740160 1.515363 C1 O1 O2 ICOOR_INTERNAL C3 157.069000 66.827269 1.528973 C2 C1 O1 ICOOR_INTERNAL C4 -65.214616 64.879772 1.534633 C3 C2 C1 ICOOR_INTERNAL C5 -64.465337 66.507352 1.531116 C4 C3 C2 ICOOR_INTERNAL C6 -178.827668 66.742016 1.531292 C5 C4 C3 ICOOR_INTERNAL C7 66.981927 66.354539 1.520911 C6 C5 C4 ICOOR_INTERNAL H1 -123.317545 70.444086 1.094538 C2 C1 C3 ICOOR_INTERNAL H2 120.336256 72.977181 1.096170 C2 C1 C3 ICOOR_INTERNAL H3 -122.334146 71.381967 1.097015 C3 C2 C4 ICOOR_INTERNAL H4 122.017886 70.777693 1.097246 C3 C2 C4 ICOOR_INTERNAL H5 -121.025316 72.687560 1.095967 C4 C3 C5 ICOOR_INTERNAL H6 123.389594 69.822889 1.095866 C4 C3 C5 ICOOR_INTERNAL H7 122.883517 70.179466 1.096611 C5 C4 C6 ICOOR_INTERNAL H8 -119.984850 70.437845 1.095566 C5 C4 C6 ICOOR_INTERNAL H9 -123.116732 70.061613 1.096200 C6 C5 C7 ICOOR_INTERNAL H10 120.527149 71.634795 1.096676 C6 C5 C7 ICOOR_INTERNAL H11 -66.638147 68.409198 1.093709 C7 C6 C5 ICOOR_INTERNAL H12 121.200140 68.937497 1.094531 C7 C6 H11 ICOOR_INTERNAL H13 -119.274086 69.979783 1.094825 C7 C6 H11 ICOOR_INTERNAL CONN1 1.281334 62.073576 1.412106 O1 C1 O2