@MOLECULE (6z)-3-(acetoxymethyl)-2-hydroxy-6,8,8,10a-tetramethyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-4ah-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-4a-yl (2e)-3-phenylacrylate 76 80 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4859 -1.8065 -2.5789 O.3 1 UNL1111111111 -0.3841 2 O 0.1839 0.2858 0.5264 O.3 1 UNL1111111111 -0.4434 3 O 2.8588 0.6849 -1.4168 O.3 1 UNL1111111111 -0.5423 4 O 1.3551 -1.5228 3.1465 O.2 1 UNL1111111111 -0.4098 5 O 5.5042 1.1491 -0.2945 O.3 1 UNL1111111111 -0.4585 6 O -0.1927 1.4554 2.4235 O.2 1 UNL1111111111 -0.4775 7 O 6.4027 3.1928 -0.0784 O.2 1 UNL1111111111 -0.5024 8 C -2.7190 -2.7555 -0.9953 C.3 1 UNL1111111111 -0.1704 9 C -3.7525 -2.4424 0.0765 C.3 1 UNL1111111111 0.0431 10 C -2.3623 -2.9379 0.4840 C.3 1 UNL1111111111 -0.2234 11 C 0.3120 -2.3418 -1.9509 C.3 1 UNL1111111111 0.1771 12 C 1.0031 -1.1203 -1.4182 C.3 1 UNL1111111111 0.0299 13 C 1.9130 -1.1315 -0.2154 C.3 1 UNL1111111111 -0.1916 14 C -2.1187 -1.6523 -1.8350 C.3 1 UNL1111111111 -0.2473 15 C -0.9713 -2.1409 -2.7316 C.3 1 UNL1111111111 -0.3043 16 C 1.3024 -0.4229 1.0312 C.3 1 UNL1111111111 0.2033 17 C 3.2142 -0.3523 -0.5282 C.3 1 UNL1111111111 0.1640 18 C 3.6715 0.2303 0.8325 C.3 1 UNL1111111111 -0.1899 19 C -4.1810 -1.0258 0.3529 C.3 1 UNL1111111111 -0.4382 20 C -4.8925 -3.4202 0.2463 C.3 1 UNL1111111111 -0.4529 21 C 2.3737 0.5211 1.5996 C.3 1 UNL1111111111 -0.3128 22 C -1.3643 -2.0393 1.0735 C.2 1 UNL1111111111 -0.0811 23 C 0.5108 -3.7223 -1.3963 C.3 1 UNL1111111111 -0.4669 24 C 0.8167 -1.4595 2.0708 C.2 1 UNL1111111111 0.4060 25 C -0.2246 -2.4320 1.6573 C.2 1 UNL1111111111 -0.1334 26 C 4.4973 1.5031 0.6652 C.3 1 UNL1111111111 -0.0173 27 C 0.1540 -3.8343 1.9859 C.3 1 UNL1111111111 -0.4280 28 C -0.4628 1.2188 1.2765 C.2 1 UNL1111111111 0.6076 29 C -1.5209 1.8034 0.4388 C.2 1 UNL1111111111 -0.2875 30 C 6.4311 2.1008 -0.5813 C.2 1 UNL1111111111 0.6270 31 C 7.4057 1.5679 -1.5721 C.3 1 UNL1111111111 -0.5137 32 C -2.5914 2.3777 1.0030 C.2 1 UNL1111111111 -0.0393 33 C -3.6826 2.9611 0.2264 C.ar 1 UNL1111111111 -0.0435 34 C -4.0833 2.3992 -0.9900 C.ar 1 UNL1111111111 -0.1338 35 C -4.3394 4.0966 0.7146 C.ar 1 UNL1111111111 -0.1380 36 C -5.1278 2.9705 -1.7122 C.ar 1 UNL1111111111 -0.1538 37 C -5.3766 4.6699 -0.0156 C.ar 1 UNL1111111111 -0.1510 38 C -5.7721 4.1080 -1.2291 C.ar 1 UNL1111111111 -0.1371 39 H -2.8632 -3.6757 -1.5747 H 1 UNL1111111111 0.1508 40 H -2.3108 -3.9690 0.8593 H 1 UNL1111111111 0.1600 41 H 0.5913 -0.1272 -1.6563 H 1 UNL1111111111 0.1783 42 H 2.1829 -2.1794 0.0574 H 1 UNL1111111111 0.1599 43 H -2.9192 -1.2202 -2.4720 H 1 UNL1111111111 0.1406 44 H -1.7542 -0.8163 -1.2025 H 1 UNL1111111111 0.1547 45 H -0.7918 -1.4010 -3.5411 H 1 UNL1111111111 0.1595 46 H -1.2570 -3.0729 -3.2539 H 1 UNL1111111111 0.1468 47 H 3.9832 -0.9865 -1.0102 H 1 UNL1111111111 0.1260 48 H 4.2757 -0.5380 1.3683 H 1 UNL1111111111 0.1564 49 H -5.0076 -0.7284 -0.3058 H 1 UNL1111111111 0.1491 50 H -3.3761 -0.2943 0.2083 H 1 UNL1111111111 0.1511 51 H -4.5312 -0.9178 1.3892 H 1 UNL1111111111 0.1552 52 H -5.7240 -3.1791 -0.4284 H 1 UNL1111111111 0.1517 53 H -5.2827 -3.3955 1.2725 H 1 UNL1111111111 0.1548 54 H -4.5971 -4.4550 0.0381 H 1 UNL1111111111 0.1455 55 H 2.0605 1.5754 1.4681 H 1 UNL1111111111 0.1719 56 H 2.4984 0.3920 2.6929 H 1 UNL1111111111 0.1828 57 H -1.5963 -0.9757 0.9649 H 1 UNL1111111111 0.1600 58 H -0.2820 -3.9749 -0.6780 H 1 UNL1111111111 0.1694 59 H 0.4872 -4.4716 -2.1995 H 1 UNL1111111111 0.1554 60 H 1.4794 -3.8358 -0.8939 H 1 UNL1111111111 0.1550 61 H 4.9872 1.8176 1.6035 H 1 UNL1111111111 0.1411 62 H 3.9125 2.3499 0.2599 H 1 UNL1111111111 0.1458 63 H 3.6661 1.1630 -1.6987 H 1 UNL1111111111 0.3200 64 H -0.6426 -4.5581 1.7733 H 1 UNL1111111111 0.1491 65 H 1.0497 -4.1599 1.4382 H 1 UNL1111111111 0.1540 66 H 0.3878 -3.9231 3.0628 H 1 UNL1111111111 0.1744 67 H -1.3638 1.7407 -0.6387 H 1 UNL1111111111 0.1898 68 H 8.3946 1.4300 -1.1043 H 1 UNL1111111111 0.1868 69 H 7.5372 2.2753 -2.4069 H 1 UNL1111111111 0.1874 70 H 7.1012 0.5966 -1.9926 H 1 UNL1111111111 0.1865 71 H -2.6932 2.4424 2.0950 H 1 UNL1111111111 0.1727 72 H -3.5833 1.5099 -1.3739 H 1 UNL1111111111 0.1591 73 H -4.0345 4.5391 1.6624 H 1 UNL1111111111 0.1572 74 H -5.4403 2.5296 -2.6571 H 1 UNL1111111111 0.1519 75 H -5.8806 5.5586 0.3610 H 1 UNL1111111111 0.1535 76 H -6.5834 4.5583 -1.7985 H 1 UNL1111111111 0.1515 @BOND 1 1 11 1 2 1 12 1 3 2 16 1 4 2 28 1 5 3 17 1 6 3 63 1 7 4 24 2 8 5 26 1 9 5 30 1 10 6 28 2 11 7 30 2 12 8 9 1 13 8 10 1 14 8 14 1 15 8 39 1 16 9 10 1 17 9 19 1 18 9 20 1 19 10 22 1 20 10 40 1 21 11 12 1 22 11 15 1 23 11 23 1 24 12 13 1 25 12 41 1 26 13 16 1 27 13 17 1 28 13 42 1 29 14 15 1 30 14 43 1 31 14 44 1 32 15 45 1 33 15 46 1 34 16 21 1 35 16 24 1 36 17 18 1 37 17 47 1 38 18 21 1 39 18 26 1 40 18 48 1 41 19 49 1 42 19 50 1 43 19 51 1 44 20 52 1 45 20 53 1 46 20 54 1 47 21 55 1 48 21 56 1 49 22 25 2 50 22 57 1 51 23 58 1 52 23 59 1 53 23 60 1 54 24 25 1 55 25 27 1 56 26 61 1 57 26 62 1 58 27 64 1 59 27 65 1 60 27 66 1 61 28 29 1 62 29 32 2 63 29 67 1 64 30 31 1 65 31 68 1 66 31 69 1 67 31 70 1 68 32 33 1 69 32 71 1 70 33 34 ar 71 33 35 ar 72 34 36 ar 73 34 72 1 74 35 37 ar 75 35 73 1 76 36 38 ar 77 36 74 1 78 37 38 ar 79 37 75 1 80 38 76 1