@MOLECULE (-)-beta-caryophyllene epoxide 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0194 -1.1625 0.6225 O.3 1 UNL111111111 -0.3824 2 C 0.9634 -0.5354 0.1313 C.3 1 UNL111111111 -0.1387 3 C 2.5130 -0.2759 0.2494 C.3 1 UNL111111111 0.0844 4 C 0.8207 0.7770 -0.7101 C.3 1 UNL111111111 -0.1545 5 C 2.3145 1.1131 -0.4300 C.3 1 UNL111111111 -0.3135 6 C -1.8676 -1.0898 -0.2333 C.3 1 UNL111111111 0.1910 7 C 0.5163 -1.8134 -0.5693 C.3 1 UNL111111111 -0.2694 8 C -1.9701 -0.2830 1.0273 C.3 1 UNL111111111 -0.0104 9 C -0.9115 -2.2578 -0.1979 C.3 1 UNL111111111 -0.3083 10 C -0.1280 1.8628 -0.3210 C.2 1 UNL111111111 0.0573 11 C -2.1626 1.2062 1.0004 C.3 1 UNL111111111 -0.2831 12 C 2.9874 -0.1939 1.6919 C.3 1 UNL111111111 -0.4635 13 C 3.4058 -1.2025 -0.5593 C.3 1 UNL111111111 -0.4591 14 C -0.7755 1.8810 1.0326 C.3 1 UNL111111111 -0.2849 15 C -2.1859 -0.5264 -1.5900 C.3 1 UNL111111111 -0.4682 16 C -0.3896 2.8416 -1.1966 C.2 1 UNL111111111 -0.3947 17 H 0.4921 -0.4611 1.1256 H 1 UNL111111111 0.1477 18 H 0.6662 0.5237 -1.7816 H 1 UNL111111111 0.1488 19 H 2.9168 1.2824 -1.3228 H 1 UNL111111111 0.1412 20 H 2.4617 1.9644 0.2388 H 1 UNL111111111 0.1467 21 H 1.2137 -2.6366 -0.3138 H 1 UNL111111111 0.1447 22 H 0.5888 -1.6915 -1.6670 H 1 UNL111111111 0.1411 23 H -1.4667 -0.6448 1.9348 H 1 UNL111111111 0.1446 24 H -1.2490 -3.0558 -0.8880 H 1 UNL111111111 0.1525 25 H -0.9153 -2.7269 0.8065 H 1 UNL111111111 0.1538 26 H -2.7686 1.5316 1.8687 H 1 UNL111111111 0.1506 27 H -2.7317 1.5289 0.1069 H 1 UNL111111111 0.1612 28 H 2.9271 -1.1709 2.1854 H 1 UNL111111111 0.1486 29 H 4.0293 0.1420 1.7486 H 1 UNL111111111 0.1470 30 H 2.3874 0.5099 2.2799 H 1 UNL111111111 0.1459 31 H 4.4353 -0.8259 -0.5908 H 1 UNL111111111 0.1462 32 H 3.4403 -2.2091 -0.1269 H 1 UNL111111111 0.1464 33 H 3.0622 -1.2966 -1.5959 H 1 UNL111111111 0.1477 34 H -0.1268 1.3986 1.7913 H 1 UNL111111111 0.1482 35 H -0.8904 2.9285 1.3826 H 1 UNL111111111 0.1509 36 H -1.9993 -1.2509 -2.3912 H 1 UNL111111111 0.1542 37 H -3.2458 -0.2369 -1.6552 H 1 UNL111111111 0.1676 38 H -1.5899 0.3711 -1.8066 H 1 UNL111111111 0.1662 39 H 0.0350 2.8913 -2.1847 H 1 UNL111111111 0.1469 40 H -1.0457 3.6697 -0.9885 H 1 UNL111111111 0.1495 @BOND 1 1 6 1 2 1 8 1 3 2 3 1 4 2 4 1 5 2 7 1 6 2 17 1 7 3 5 1 8 3 12 1 9 3 13 1 10 4 5 1 11 4 10 1 12 4 18 1 13 5 19 1 14 5 20 1 15 6 8 1 16 6 9 1 17 6 15 1 18 7 9 1 19 7 21 1 20 7 22 1 21 8 11 1 22 8 23 1 23 9 24 1 24 9 25 1 25 10 14 1 26 10 16 2 27 11 14 1 28 11 26 1 29 11 27 1 30 12 28 1 31 12 29 1 32 12 30 1 33 13 31 1 34 13 32 1 35 13 33 1 36 14 34 1 37 14 35 1 38 15 36 1 39 15 37 1 40 15 38 1 41 16 39 1 42 16 40 1