@MOLECULE 1-hydroxy-3-[(2e,6e)-9-hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2-methyl-4(1h)-quinolinone 31 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -6.9665 -0.9179 -0.1934 C.ar 1 UNL1 -0.0181 2 C -6.4848 -2.1974 -0.1083 C.ar 1 UNL1 0.0522 3 C -5.1997 -2.3423 -0.0221 C.ar 1 UNL1 -0.0507 4 C -6.0519 0.0279 -0.1824 C.ar 1 UNL1 0.0746 5 C -4.6810 -0.0417 -0.0863 C.ar 1 UNL1 -0.2057 6 C -4.1791 -1.3965 0.0102 C.ar 1 UNL1 0.0949 7 N -2.8277 -1.6516 0.1049 N.2 1 UNL1 0.2096 8 C -1.8944 -0.5945 0.2518 C.2 1 UNL1 -0.4315 9 C -2.3584 0.7857 0.3348 C.2 1 UNL1 -0.1241 10 C -3.7619 1.0973 -0.0700 C.2 1 UNL1 0.4796 11 O -2.3911 -2.8185 0.1174 O.2 1 UNL1 -0.3514 12 O -4.1051 2.2205 -0.3405 O.2 1 UNL1 -0.3783 13 C -0.5627 -0.8320 0.3014 C.2 1 UNL1 0.5710 14 C -1.5957 1.7693 0.7522 C.1 1 UNL1 -0.0049 15 C -0.8313 2.7664 1.1012 C.2 1 UNL1 -0.0623 16 C 0.0622 3.3850 0.1072 C.2 1 UNL1 -0.4946 17 C 1.1760 2.6248 -0.2323 C.1 1 UNL1 -0.0204 18 C -0.2033 4.5819 -0.4213 C.2 1 UNL1 0.5167 19 C 2.1324 1.8898 -0.4595 C.1 1 UNL1 -0.1157 20 C 3.2183 1.0859 -0.6711 C.3 1 UNL1 -0.0910 21 C 3.1740 -0.3405 -0.4734 C.2 1 UNL1 -0.4672 22 C 4.3740 -1.0236 -0.2031 C.2 1 UNL1 -0.0316 23 C 5.0893 -2.2506 0.0424 C.2 1 UNL1 0.4222 24 C 5.7083 -0.9415 0.0377 C.2 1 UNL1 -0.1532 25 C 6.8419 -0.1761 0.1770 C.3 1 UNL1 -0.2348 26 C 7.6748 0.6004 0.8646 C.3 1 UNL1 -0.0086 27 C 8.1102 0.3526 -0.4439 C.3 1 UNL1 0.2487 28 O 5.1501 -3.4257 0.1682 O.2 1 UNL1 -0.3476 29 C 2.0147 -1.0198 -0.5594 C.2 1 UNL1 0.5645 30 H -0.7699 3.1546 2.1221 H 1 UNL1 0.1873 31 H 4.1666 1.5292 -0.9697 H 1 UNL1 0.1704 @BOND 1 31 20 1 2 20 21 1 3 20 19 1 4 29 21 2 5 21 22 1 6 19 17 3 7 27 25 1 8 27 26 1 9 18 16 2 10 12 10 2 11 17 16 1 12 22 24 2 13 22 23 1 14 1 4 ar 15 1 2 ar 16 4 5 ar 17 2 3 ar 18 5 10 1 19 5 6 ar 20 10 9 1 21 3 6 ar 22 6 7 1 23 24 23 1 24 24 25 1 25 23 28 2 26 7 11 2 27 7 8 1 28 16 15 1 29 25 26 1 30 8 13 2 31 8 9 1 32 9 14 2 33 14 15 2 34 15 30 1