@MOLECULE (2z)-3-cyclohexyl-2-butenoic acid 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8104 -0.5664 -0.1381 O.3 1 UNL1111111111 -0.5634 2 O -1.8687 -1.6362 -0.2106 O.2 1 UNL1111111111 -0.5356 3 C 0.4986 0.1539 -0.0736 C.3 1 UNL1111111111 -0.1581 4 C 1.2010 -0.0927 1.2768 C.3 1 UNL1111111111 -0.2601 5 C 1.5093 0.6693 -1.1154 C.3 1 UNL1111111111 -0.2670 6 C 2.3366 -1.1079 1.0947 C.3 1 UNL1111111111 -0.2617 7 C 2.6351 -0.3579 -1.2961 C.3 1 UNL1111111111 -0.2624 8 C 3.3399 -0.6204 0.0417 C.3 1 UNL1111111111 -0.2648 9 C -0.6374 1.1166 0.1174 C.2 1 UNL1111111111 0.1818 10 C -0.2787 2.5521 0.3261 C.3 1 UNL1111111111 -0.4786 11 C -1.9375 0.7669 0.1093 C.2 1 UNL1111111111 -0.3938 12 C -2.4442 -0.5813 -0.0913 C.2 1 UNL1111111111 0.6709 13 H 0.1122 -0.8376 -0.4415 H 1 UNL1111111111 0.1890 14 H 0.4702 -0.4707 2.0165 H 1 UNL1111111111 0.1413 15 H 1.6008 0.8519 1.6860 H 1 UNL1111111111 0.1328 16 H 1.9379 1.6376 -0.8014 H 1 UNL1111111111 0.1353 17 H 0.9993 0.8490 -2.0792 H 1 UNL1111111111 0.1350 18 H 1.9186 -2.0881 0.7927 H 1 UNL1111111111 0.1458 19 H 2.8488 -1.2789 2.0587 H 1 UNL1111111111 0.1312 20 H 3.3615 0.0028 -2.0460 H 1 UNL1111111111 0.1300 21 H 2.2237 -1.3037 -1.6980 H 1 UNL1111111111 0.1434 22 H 3.8387 0.3013 0.3931 H 1 UNL1111111111 0.1325 23 H 4.1413 -1.3696 -0.0929 H 1 UNL1111111111 0.1313 24 H 0.6362 2.6702 0.9245 H 1 UNL1111111111 0.1654 25 H -1.0702 3.1205 0.8352 H 1 UNL1111111111 0.1648 26 H -0.0987 3.0501 -0.6404 H 1 UNL1111111111 0.1716 27 H -2.7224 1.5169 0.2571 H 1 UNL1111111111 0.1927 28 H -4.2012 -1.4631 -0.2713 H 1 UNL1111111111 0.3505 @BOND 1 1 12 1 2 1 28 1 3 2 12 2 4 3 4 1 5 3 5 1 6 3 9 1 7 3 13 1 8 4 6 1 9 4 14 1 10 4 15 1 11 5 7 1 12 5 16 1 13 5 17 1 14 6 8 1 15 6 18 1 16 6 19 1 17 7 8 1 18 7 20 1 19 7 21 1 20 8 22 1 21 8 23 1 22 9 10 1 23 9 11 2 24 10 24 1 25 10 25 1 26 10 26 1 27 11 12 1 28 11 27 1