@MOLECULE (4s,5r)-5-[(1e)-2,6-dimethyl-1,5-heptadien-1-yl]-4-hydroxy-2-methyl-2-cyclopenten-1-one 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3321 -1.7865 -0.9007 O.3 1 UNL1111111111 -0.5421 2 O -0.6580 0.4745 1.8670 O.2 1 UNL1111111111 -0.4450 3 C -1.1961 -1.0715 0.0626 C.3 1 UNL1111111111 -0.2711 4 C -2.2616 -0.8810 -1.0582 C.3 1 UNL1111111111 0.1397 5 C -1.2703 0.2316 0.8663 C.2 1 UNL1111111111 0.4757 6 C 0.1726 -1.2523 -0.4862 C.2 1 UNL1111111111 -0.2660 7 C -2.2698 1.1276 0.2052 C.2 1 UNL1111111111 -0.0947 8 C -2.8424 0.4999 -0.8312 C.2 1 UNL1111111111 -0.1506 9 C 1.2077 -1.7618 0.1985 C.2 1 UNL1111111111 0.0891 10 C 2.5593 -1.8669 -0.4476 C.3 1 UNL1111111111 -0.2902 11 C 3.3566 -0.5630 -0.2347 C.3 1 UNL1111111111 -0.2487 12 C -2.5059 2.4851 0.7224 C.3 1 UNL1111111111 -0.4297 13 C 1.1074 -2.2313 1.6084 C.3 1 UNL1111111111 -0.4710 14 C 2.7487 0.5573 -1.0147 C.2 1 UNL1111111111 -0.2452 15 C 2.1028 1.6010 -0.4761 C.2 1 UNL1111111111 0.0677 16 C 1.4981 2.6628 -1.3391 C.3 1 UNL1111111111 -0.4592 17 C 1.9232 1.8018 0.9901 C.3 1 UNL1111111111 -0.4656 18 H -1.4882 -1.9229 0.7238 H 1 UNL1111111111 0.1853 19 H -1.8413 -0.9983 -2.0786 H 1 UNL1111111111 0.1320 20 H 0.3145 -0.8982 -1.5070 H 1 UNL1111111111 0.1569 21 H -3.6331 0.8503 -1.4703 H 1 UNL1111111111 0.1676 22 H 2.4650 -2.0714 -1.5326 H 1 UNL1111111111 0.1469 23 H 3.1281 -2.7230 -0.0358 H 1 UNL1111111111 0.1427 24 H 3.4088 -0.3323 0.8478 H 1 UNL1111111111 0.1476 25 H 4.4076 -0.7158 -0.5544 H 1 UNL1111111111 0.1383 26 H -1.6318 3.1350 0.5491 H 1 UNL1111111111 0.1643 27 H -2.6681 2.4737 1.8143 H 1 UNL1111111111 0.1722 28 H -3.3774 2.9718 0.2641 H 1 UNL1111111111 0.1548 29 H 2.0862 -2.4231 2.0651 H 1 UNL1111111111 0.1531 30 H 0.5230 -3.1590 1.6809 H 1 UNL1111111111 0.1570 31 H 0.6062 -1.4799 2.2451 H 1 UNL1111111111 0.1830 32 H -3.0250 -2.7052 -1.0400 H 1 UNL1111111111 0.3174 33 H 2.8571 0.4590 -2.0915 H 1 UNL1111111111 0.1423 34 H 0.4016 2.6524 -1.2566 H 1 UNL1111111111 0.1551 35 H 1.8410 3.6624 -1.0380 H 1 UNL1111111111 0.1551 36 H 1.7447 2.5404 -2.4009 H 1 UNL1111111111 0.1488 37 H 2.8368 2.1985 1.4521 H 1 UNL1111111111 0.1547 38 H 1.6748 0.8581 1.5053 H 1 UNL1111111111 0.1752 39 H 1.1045 2.4935 1.2284 H 1 UNL1111111111 0.1565 @BOND 1 1 4 1 2 1 32 1 3 2 5 2 4 3 4 1 5 3 5 1 6 3 6 1 7 3 18 1 8 4 8 1 9 4 19 1 10 5 7 1 11 6 9 2 12 6 20 1 13 7 8 2 14 7 12 1 15 8 21 1 16 9 10 1 17 9 13 1 18 10 11 1 19 10 22 1 20 10 23 1 21 11 14 1 22 11 24 1 23 11 25 1 24 12 26 1 25 12 27 1 26 12 28 1 27 13 29 1 28 13 30 1 29 13 31 1 30 14 15 2 31 14 33 1 32 15 16 1 33 15 17 1 34 16 34 1 35 16 35 1 36 16 36 1 37 17 37 1 38 17 38 1 39 17 39 1