@MOLECULE (5r)-5-[(2z,7e,10e)-13-(3-furyl)-2,6,10-trimethyl-2,7,10-tridecatrien-1-yl]-4-hydroxy-3-methyl-2(5h)-furanone 63 64 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4059 -0.4256 0.6061 O.3 1 UNL1111111111 -0.3978 2 O 5.4397 2.0457 -1.0722 O.2 1 UNL1111111111 -0.4110 3 O 4.0573 -2.3948 -0.2211 O.2 1 UNL1111111111 -0.4225 4 O -1.8460 2.2454 0.3088 O.2 1 UNL1111111111 -0.1644 5 C 0.0808 -2.6292 0.8211 C.3 1 UNL1111111111 -0.0871 6 C 0.4536 -1.2994 1.5037 C.3 1 UNL1111111111 -0.2654 7 C 0.0788 -0.1067 0.6128 C.3 1 UNL1111111111 -0.2797 8 C 3.6943 0.9670 0.4004 C.3 1 UNL1111111111 0.0551 9 C 2.4426 1.6584 -0.1385 C.3 1 UNL1111111111 -0.3034 10 C 1.4819 1.9535 0.9742 C.2 1 UNL1111111111 -0.0226 11 C 0.4477 1.1670 1.2964 C.2 1 UNL1111111111 -0.1362 12 C 4.8249 0.9506 -0.6126 C.2 1 UNL1111111111 0.1908 13 C -1.4118 -2.7811 0.7878 C.2 1 UNL1111111111 -0.1616 14 C 0.7042 -3.8045 1.5859 C.3 1 UNL1111111111 -0.4512 15 C 5.1113 -0.3147 -0.9862 C.2 1 UNL1111111111 -0.2261 16 C 1.7517 3.2237 1.7163 C.3 1 UNL1111111111 -0.4479 17 C -2.1114 -2.7088 -0.3474 C.2 1 UNL1111111111 -0.1680 18 C 4.2052 -1.2094 -0.2329 C.2 1 UNL1111111111 0.5848 19 C -3.6002 -2.8526 -0.3985 C.3 1 UNL1111111111 -0.2976 20 C -4.2480 -1.5986 -0.9202 C.2 1 UNL1111111111 0.0470 21 C 6.1074 -0.8267 -1.9348 C.3 1 UNL1111111111 -0.3975 22 C -5.8439 0.3143 -0.5738 C.3 1 UNL1111111111 -0.2539 23 C -5.1196 -0.9238 -0.1585 C.2 1 UNL1111111111 -0.2286 24 C -5.4681 1.4993 0.3400 C.3 1 UNL1111111111 -0.2536 25 C -3.8675 -1.1852 -2.3024 C.3 1 UNL1111111111 -0.4546 26 C -4.0713 1.9171 0.0990 C.ar 1 UNL1111111111 -0.0548 27 C -3.5915 2.6151 -1.0734 C.ar 1 UNL1111111111 -0.2556 28 C -2.9783 1.7178 0.9000 C.ar 1 UNL1111111111 -0.0641 29 C -2.2468 2.7857 -0.8940 C.ar 1 UNL1111111111 -0.0249 30 H 0.4997 -2.6263 -0.2163 H 1 UNL1111111111 0.1423 31 H -0.0405 -1.2183 2.4870 H 1 UNL1111111111 0.1338 32 H 1.5445 -1.2805 1.7056 H 1 UNL1111111111 0.1609 33 H -1.0117 -0.1247 0.3959 H 1 UNL1111111111 0.1555 34 H 0.5707 -0.2102 -0.3744 H 1 UNL1111111111 0.1434 35 H 4.0020 1.3460 1.3991 H 1 UNL1111111111 0.1650 36 H 1.9652 1.0070 -0.9070 H 1 UNL1111111111 0.1765 37 H 2.7109 2.5889 -0.6763 H 1 UNL1111111111 0.1448 38 H -0.2119 1.4300 2.1252 H 1 UNL1111111111 0.1427 39 H -1.8802 -2.9441 1.7546 H 1 UNL1111111111 0.1425 40 H 0.4124 -3.8047 2.6399 H 1 UNL1111111111 0.1396 41 H 0.4008 -4.7631 1.1523 H 1 UNL1111111111 0.1435 42 H 1.8005 -3.7580 1.5429 H 1 UNL1111111111 0.1566 43 H 1.5831 4.1002 1.0756 H 1 UNL1111111111 0.1493 44 H 1.0963 3.3436 2.5905 H 1 UNL1111111111 0.1543 45 H 2.7828 3.2715 2.0868 H 1 UNL1111111111 0.1423 46 H -1.6345 -2.5341 -1.3096 H 1 UNL1111111111 0.1452 47 H -4.0074 -3.1231 0.5985 H 1 UNL1111111111 0.1483 48 H -3.8706 -3.7088 -1.0573 H 1 UNL1111111111 0.1554 49 H 6.9442 -1.3232 -1.4147 H 1 UNL1111111111 0.1620 50 H 6.5397 -0.0255 -2.5540 H 1 UNL1111111111 0.1594 51 H 5.6732 -1.5756 -2.6182 H 1 UNL1111111111 0.1646 52 H -5.6353 0.5840 -1.6276 H 1 UNL1111111111 0.1451 53 H -6.9383 0.1384 -0.5229 H 1 UNL1111111111 0.1392 54 H -5.3543 -1.2537 0.8522 H 1 UNL1111111111 0.1451 55 H -5.6230 1.2180 1.4019 H 1 UNL1111111111 0.1480 56 H -6.1605 2.3466 0.1515 H 1 UNL1111111111 0.1459 57 H 5.0551 2.8745 -0.6806 H 1 UNL1111111111 0.3266 58 H -3.2830 -0.2512 -2.2775 H 1 UNL1111111111 0.1646 59 H -3.2574 -1.9363 -2.8195 H 1 UNL1111111111 0.1523 60 H -4.7495 -1.0011 -2.9303 H 1 UNL1111111111 0.1510 61 H -4.2008 2.9188 -1.8954 H 1 UNL1111111111 0.1657 62 H -2.7952 1.2539 1.8383 H 1 UNL1111111111 0.1736 63 H -1.4513 3.2258 -1.4462 H 1 UNL1111111111 0.1676 @BOND 1 1 8 1 2 1 18 1 3 2 12 1 4 2 57 1 5 3 18 2 6 4 28 ar 7 4 29 ar 8 5 6 1 9 5 13 1 10 5 14 1 11 5 30 1 12 6 7 1 13 6 31 1 14 6 32 1 15 7 11 1 16 7 33 1 17 7 34 1 18 8 9 1 19 8 12 1 20 8 35 1 21 9 10 1 22 9 36 1 23 9 37 1 24 10 11 2 25 10 16 1 26 11 38 1 27 12 15 2 28 13 17 2 29 13 39 1 30 14 40 1 31 14 41 1 32 14 42 1 33 15 18 1 34 15 21 1 35 16 43 1 36 16 44 1 37 16 45 1 38 17 19 1 39 17 46 1 40 19 20 1 41 19 47 1 42 19 48 1 43 20 23 2 44 20 25 1 45 21 49 1 46 21 50 1 47 21 51 1 48 22 23 1 49 22 24 1 50 22 52 1 51 22 53 1 52 23 54 1 53 24 26 1 54 24 55 1 55 24 56 1 56 25 58 1 57 25 59 1 58 25 60 1 59 26 27 ar 60 26 28 ar 61 27 29 ar 62 27 61 1 63 28 62 1 64 29 63 1