@MOLECULE methyl (2z)-3-[(3s,3as,5ar,6r,6ar,9as,9br,9cr,10as)-3-(3-furyl)-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxododecahydro-3h-furo[3',2':4,5]cyclopenta[1,2-f]oxireno[d]isochromen-6-yl]acrylate 69 74 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2338 1.4164 -1.7952 O.3 1 UNL11 -0.3411 2 O -0.6219 1.8700 0.3198 O.3 1 UNL11 -0.4841 3 O -1.2272 2.2066 -1.8553 O.3 1 UNL11 -0.4978 4 O 4.1639 1.1866 0.2863 O.3 1 UNL11 -0.3982 5 O -3.2075 0.6082 -1.6188 O.3 1 UNL11 -0.4944 6 O -3.8113 0.7717 1.2509 O.2 1 UNL11 -0.4099 7 O 3.5295 3.1726 0.9273 O.2 1 UNL11 -0.4258 8 O 6.1914 -2.7967 0.4826 O.2 1 UNL11 -0.1655 9 O -5.9297 -1.8501 1.2660 O.3 1 UNL11 -0.3956 10 O -5.0656 -1.0560 -0.6301 O.2 1 UNL11 -0.5604 11 C 0.1460 0.2404 -1.2282 C.3 1 UNL11 -0.0201 12 C 1.5418 0.6429 -0.8017 C.3 1 UNL11 0.1511 13 C -0.2908 -0.9752 -0.3717 C.3 1 UNL11 -0.1436 14 C 2.3859 -0.4443 -0.1209 C.3 1 UNL11 0.0108 15 C -0.9860 1.2409 -0.8997 C.3 1 UNL11 0.4212 16 C -1.8413 -1.1002 -0.4932 C.3 1 UNL11 -0.0009 17 C -2.2839 0.4037 -0.6123 C.3 1 UNL11 0.1157 18 C 2.0035 2.0411 -0.5351 C.3 1 UNL11 -0.1115 19 C 0.5669 -2.1969 -0.6759 C.3 1 UNL11 -0.2609 20 C 2.0658 -1.8180 -0.7352 C.3 1 UNL11 -0.2842 21 C 0.1469 0.0054 -2.7389 C.3 1 UNL11 -0.4433 22 C 3.8709 -0.0498 -0.3837 C.3 1 UNL11 0.1191 23 C -2.7832 1.0325 0.6991 C.2 1 UNL11 0.3624 24 C 2.1351 -0.4326 1.3964 C.3 1 UNL11 -0.4640 25 C -1.7567 2.0716 1.1641 C.3 1 UNL11 0.2339 26 C 3.2568 2.2021 0.2732 C.2 1 UNL11 0.5769 27 C -2.2826 -1.9072 -1.7117 C.3 1 UNL11 -0.4462 28 C -2.3775 -1.7921 0.7284 C.2 1 UNL11 -0.0651 29 C 4.8475 -1.0099 0.1818 C.ar 1 UNL11 -0.1277 30 C -2.2941 3.4749 0.9468 C.3 1 UNL11 -0.4786 31 C -1.2751 1.7951 2.5778 C.3 1 UNL11 -0.4641 32 C -3.6411 -1.9836 1.1227 C.2 1 UNL11 -0.2794 33 C 5.5615 -0.8436 1.4268 C.ar 1 UNL11 -0.2023 34 C 5.2736 -2.1982 -0.3524 C.ar 1 UNL11 -0.0437 35 C -4.8774 -1.5433 0.4633 C.2 1 UNL11 0.6552 36 C 6.3546 -1.9478 1.5614 C.ar 1 UNL11 -0.0277 37 C -7.2131 -1.4440 0.7972 C.3 1 UNL11 -0.1688 38 H -0.1092 -0.6898 0.7036 H 1 UNL11 0.1597 39 H 1.3298 2.9042 -0.5267 H 1 UNL11 0.1986 40 H 0.2692 -2.6600 -1.6359 H 1 UNL11 0.1478 41 H 0.4024 -2.9754 0.0916 H 1 UNL11 0.1349 42 H 2.6589 -2.5982 -0.2203 H 1 UNL11 0.1483 43 H 2.4029 -1.8294 -1.7902 H 1 UNL11 0.1452 44 H 0.5848 0.8563 -3.2810 H 1 UNL11 0.1666 45 H 0.7167 -0.8854 -3.0177 H 1 UNL11 0.1512 46 H -0.8783 -0.1030 -3.1289 H 1 UNL11 0.1736 47 H 4.0618 0.1261 -1.4722 H 1 UNL11 0.1635 48 H 1.7590 -1.3950 1.7590 H 1 UNL11 0.1529 49 H 3.0557 -0.2339 1.9646 H 1 UNL11 0.1712 50 H 1.4199 0.3464 1.6950 H 1 UNL11 0.1635 51 H -3.3781 -1.9806 -1.7835 H 1 UNL11 0.1746 52 H -1.9541 -1.4390 -2.6504 H 1 UNL11 0.1706 53 H -1.8914 -2.9293 -1.6846 H 1 UNL11 0.1460 54 H -1.5839 -2.2195 1.3621 H 1 UNL11 0.1545 55 H -0.3953 2.6913 -2.0700 H 1 UNL11 0.3259 56 H -4.0232 0.0640 -1.4138 H 1 UNL11 0.3606 57 H -3.2075 3.6540 1.5255 H 1 UNL11 0.1601 58 H -1.5532 4.2322 1.2332 H 1 UNL11 0.1661 59 H -2.5306 3.6452 -0.1167 H 1 UNL11 0.1802 60 H -2.1034 1.8663 3.2951 H 1 UNL11 0.1658 61 H -0.8330 0.7963 2.6703 H 1 UNL11 0.1518 62 H -0.5036 2.5182 2.8781 H 1 UNL11 0.1703 63 H -3.8359 -2.5254 2.0614 H 1 UNL11 0.1852 64 H 5.4728 0.0095 2.0712 H 1 UNL11 0.1875 65 H 5.0761 -2.7537 -1.2379 H 1 UNL11 0.1730 66 H 7.0537 -2.3063 2.2794 H 1 UNL11 0.1732 67 H -7.8852 -1.8064 1.5836 H 1 UNL11 0.1468 68 H -7.4330 -1.9124 -0.1681 H 1 UNL11 0.1424 69 H -7.2499 -0.3518 0.7102 H 1 UNL11 0.1470 @BOND 1 1 12 1 2 1 18 1 3 2 15 1 4 2 25 1 5 3 15 1 6 3 55 1 7 4 22 1 8 4 26 1 9 5 17 1 10 5 56 1 11 6 23 2 12 7 26 2 13 8 34 ar 14 8 36 ar 15 9 35 1 16 9 37 1 17 10 35 2 18 11 12 1 19 11 21 1 20 12 14 1 21 13 11 1 22 13 19 1 23 13 38 1 24 14 20 1 25 14 22 1 26 14 24 1 27 15 11 1 28 16 13 1 29 16 17 1 30 16 27 1 31 16 28 1 32 17 15 1 33 17 23 1 34 18 12 1 35 18 26 1 36 18 39 1 37 19 20 1 38 19 40 1 39 19 41 1 40 20 42 1 41 20 43 1 42 21 44 1 43 21 45 1 44 21 46 1 45 22 29 1 46 22 47 1 47 23 25 1 48 24 48 1 49 24 49 1 50 24 50 1 51 25 30 1 52 25 31 1 53 27 51 1 54 27 52 1 55 27 53 1 56 28 32 2 57 28 54 1 58 29 33 ar 59 29 34 ar 60 30 57 1 61 30 58 1 62 30 59 1 63 31 60 1 64 31 61 1 65 31 62 1 66 32 35 1 67 32 63 1 68 33 36 ar 69 33 64 1 70 34 65 1 71 36 66 1 72 37 67 1 73 37 68 1 74 37 69 1