@MOLECULE 2-(4-isobutyl-1-cyclohexen-1-yl)propanoic acid 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1494 0.8842 0.8701 O.3 1 UNL1111111111 -0.5667 2 O -3.7306 -1.2653 0.4865 O.2 1 UNL1111111111 -0.5140 3 C 1.6570 -0.0655 0.3363 C.3 1 UNL1111111111 -0.0870 4 C 0.6389 -1.0752 0.8941 C.3 1 UNL1111111111 -0.2774 5 C 2.9990 -0.1642 1.0838 C.3 1 UNL1111111111 -0.3098 6 C 1.0540 1.3480 0.4560 C.3 1 UNL1111111111 -0.2857 7 C -0.6230 -1.0679 0.0208 C.3 1 UNL1111111111 -0.2835 8 C -1.1127 0.3222 -0.2370 C.2 1 UNL1111111111 -0.0199 9 C 4.2398 -0.1018 0.1698 C.3 1 UNL1111111111 -0.0584 10 C -0.3485 1.4062 -0.0522 C.2 1 UNL1111111111 -0.1712 11 C -2.5161 0.4629 -0.7684 C.3 1 UNL1111111111 -0.1726 12 C 4.3097 -1.3225 -0.7561 C.3 1 UNL1111111111 -0.4541 13 C 4.2800 1.1923 -0.6498 C.3 1 UNL1111111111 -0.4543 14 C -2.6808 -0.2699 -2.1021 C.3 1 UNL1111111111 -0.4343 15 C -3.4894 -0.1159 0.2275 C.2 1 UNL1111111111 0.6436 16 H 1.8181 -0.2910 -0.7453 H 1 UNL1111111111 0.1411 17 H 0.3810 -0.8180 1.9379 H 1 UNL1111111111 0.1432 18 H 1.0710 -2.0904 0.9224 H 1 UNL1111111111 0.1357 19 H 3.0707 0.6368 1.8428 H 1 UNL1111111111 0.1374 20 H 3.0392 -1.1086 1.6608 H 1 UNL1111111111 0.1404 21 H 1.6930 2.0729 -0.0866 H 1 UNL1111111111 0.1442 22 H 1.0644 1.6771 1.5175 H 1 UNL1111111111 0.1515 23 H -1.4101 -1.6884 0.5015 H 1 UNL1111111111 0.1671 24 H -0.4120 -1.5670 -0.9487 H 1 UNL1111111111 0.1503 25 H 5.1418 -0.1193 0.8337 H 1 UNL1111111111 0.1256 26 H -0.7168 2.4114 -0.2487 H 1 UNL1111111111 0.1437 27 H -2.7581 1.5518 -0.9205 H 1 UNL1111111111 0.1790 28 H 3.4616 -1.3553 -1.4485 H 1 UNL1111111111 0.1454 29 H 4.3017 -2.2562 -0.1842 H 1 UNL1111111111 0.1421 30 H 5.2236 -1.3092 -1.3590 H 1 UNL1111111111 0.1416 31 H 3.4605 1.2361 -1.3755 H 1 UNL1111111111 0.1463 32 H 5.2170 1.2748 -1.2114 H 1 UNL1111111111 0.1416 33 H 4.2008 2.0737 -0.0051 H 1 UNL1111111111 0.1412 34 H -1.8929 0.0225 -2.8078 H 1 UNL1111111111 0.1577 35 H -3.6467 -0.0467 -2.5695 H 1 UNL1111111111 0.1512 36 H -2.6225 -1.3605 -1.9749 H 1 UNL1111111111 0.1655 37 H -4.7927 0.5659 1.5490 H 1 UNL1111111111 0.3535 @BOND 1 1 15 1 2 1 37 1 3 2 15 2 4 3 4 1 5 3 5 1 6 3 6 1 7 3 16 1 8 4 7 1 9 4 17 1 10 4 18 1 11 5 9 1 12 5 19 1 13 5 20 1 14 6 10 1 15 6 21 1 16 6 22 1 17 7 8 1 18 7 23 1 19 7 24 1 20 8 10 2 21 8 11 1 22 9 12 1 23 9 13 1 24 9 25 1 25 10 26 1 26 11 14 1 27 11 15 1 28 11 27 1 29 12 28 1 30 12 29 1 31 12 30 1 32 13 31 1 33 13 32 1 34 13 33 1 35 14 34 1 36 14 35 1 37 14 36 1