@MOLECULE (22beta)-22,29-epoxyolean-12-ene-3,29-dione 71 76 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.6320 -0.1612 -0.7474 O.3 1 UNL111111 -0.4223 2 O 6.8174 1.3723 1.0788 O.2 1 UNL111111 -0.4685 3 O -5.9403 2.0412 -0.9817 O.2 1 UNL111111 -0.4499 4 C 0.8929 -0.9260 -0.2805 C.3 1 UNL111111 0.0689 5 C -0.5473 -0.7738 0.3734 C.3 1 UNL111111 0.0596 6 C 1.5307 0.4914 -0.2995 C.3 1 UNL111111 -0.1536 7 C 3.0730 0.5667 -0.5619 C.3 1 UNL111111 0.0708 8 C -3.4826 -1.1513 -0.2427 C.3 1 UNL111111 0.0354 9 C -2.8498 0.2606 -0.3396 C.3 1 UNL111111 -0.1426 10 C 3.7432 -0.4088 0.4469 C.3 1 UNL111111 -0.1103 11 C -1.3407 0.2563 -0.3962 C.2 1 UNL111111 -0.0272 12 C 1.7518 -1.9044 0.5500 C.3 1 UNL111111 -0.3033 13 C -1.2519 -2.1469 0.3907 C.3 1 UNL111111 -0.2819 14 C 3.2374 -1.8335 0.1882 C.3 1 UNL111111 -0.2796 15 C 0.7320 1.3909 -1.2580 C.3 1 UNL111111 -0.2672 16 C -2.7337 -2.0410 0.7565 C.3 1 UNL111111 -0.2894 17 C -4.9705 -1.0275 0.1931 C.3 1 UNL111111 0.1037 18 C -3.2862 1.2370 0.7829 C.3 1 UNL111111 -0.2699 19 C 5.2938 -0.3431 0.5193 C.3 1 UNL111111 -0.3331 20 C 3.5398 1.9973 -0.1895 C.3 1 UNL111111 -0.2902 21 C -4.8032 1.1521 1.0742 C.3 1 UNL111111 -0.2808 22 C 0.7382 -1.5074 -1.6986 C.3 1 UNL111111 -0.4652 23 C -0.7438 1.2334 -1.0945 C.2 1 UNL111111 -0.2045 24 C -0.4464 -0.2665 1.8304 C.3 1 UNL111111 -0.4619 25 C -5.1154 -0.2899 1.5427 C.3 1 UNL111111 -0.3072 26 C 3.4341 0.3045 -2.0253 C.3 1 UNL111111 -0.4605 27 C -3.4700 -1.7930 -1.6401 C.3 1 UNL111111 -0.4603 28 C 5.0533 2.1525 -0.2821 C.3 1 UNL111111 -0.3754 29 C 5.7984 1.1074 0.4895 C.2 1 UNL111111 0.4724 30 C -5.5131 1.1440 -0.3254 C.2 1 UNL111111 0.5612 31 C 6.0293 -1.0779 -0.6135 C.3 1 UNL111111 -0.4265 32 C 5.6755 -0.9330 1.7974 C.3 1 UNL111111 0.2899 33 C -5.2603 2.1542 1.9649 C.3 1 UNL111111 0.1347 34 H 1.3926 0.9091 0.7347 H 1 UNL111111 0.1433 35 H -3.2310 0.6984 -1.3090 H 1 UNL111111 0.1626 36 H 3.3768 -0.0940 1.4647 H 1 UNL111111 0.1405 37 H 1.3872 -2.9380 0.4017 H 1 UNL111111 0.1426 38 H 1.6281 -1.7001 1.6306 H 1 UNL111111 0.1424 39 H -0.7406 -2.8148 1.1083 H 1 UNL111111 0.1350 40 H -1.1611 -2.6395 -0.5957 H 1 UNL111111 0.1502 41 H 3.8103 -2.5722 0.7957 H 1 UNL111111 0.1395 42 H 3.3984 -2.1256 -0.8604 H 1 UNL111111 0.1479 43 H 0.9948 1.1627 -2.3138 H 1 UNL111111 0.1536 44 H 1.0107 2.4528 -1.1017 H 1 UNL111111 0.1431 45 H -3.1839 -3.0520 0.7768 H 1 UNL111111 0.1402 46 H -2.8375 -1.6440 1.7844 H 1 UNL111111 0.1373 47 H -5.5168 -1.9812 0.1278 H 1 UNL111111 0.1470 48 H -2.7358 1.0201 1.7176 H 1 UNL111111 0.1516 49 H -2.9881 2.2686 0.4982 H 1 UNL111111 0.1522 50 H 3.1967 2.2543 0.8348 H 1 UNL111111 0.1451 51 H 3.0555 2.7366 -0.8554 H 1 UNL111111 0.1540 52 H 0.4574 -2.5653 -1.6789 H 1 UNL111111 0.1414 53 H -0.0315 -0.9754 -2.2723 H 1 UNL111111 0.1612 54 H 1.6707 -1.4427 -2.2688 H 1 UNL111111 0.1460 55 H -1.3269 1.9885 -1.6234 H 1 UNL111111 0.1513 56 H 0.2330 -0.8778 2.4312 H 1 UNL111111 0.1437 57 H -0.0989 0.7721 1.8751 H 1 UNL111111 0.1502 58 H -1.4237 -0.2985 2.3254 H 1 UNL111111 0.1492 59 H -6.1308 -0.3786 1.9527 H 1 UNL111111 0.1558 60 H -4.4171 -0.6413 2.3144 H 1 UNL111111 0.1587 61 H 3.1684 -0.7143 -2.3356 H 1 UNL111111 0.1537 62 H 2.9134 0.9969 -2.6984 H 1 UNL111111 0.1542 63 H 4.5058 0.4280 -2.2136 H 1 UNL111111 0.1433 64 H -3.7590 -2.8475 -1.6045 H 1 UNL111111 0.1463 65 H -4.1715 -1.2825 -2.3186 H 1 UNL111111 0.1678 66 H -2.4768 -1.7313 -2.0972 H 1 UNL111111 0.1530 67 H 5.3583 3.1617 0.0722 H 1 UNL111111 0.1777 68 H 5.3858 2.1126 -1.3427 H 1 UNL111111 0.1751 69 H 5.7806 -2.1486 -0.6267 H 1 UNL111111 0.1577 70 H 5.7571 -0.6723 -1.5938 H 1 UNL111111 0.1609 71 H 7.1178 -0.9918 -0.5106 H 1 UNL111111 0.1592 @BOND 1 3 30 2 2 33 21 1 3 67 28 1 4 49 18 1 5 51 20 1 6 44 15 1 7 55 23 1 8 50 20 1 9 30 21 1 10 30 1 1 11 68 28 1 12 20 28 1 13 20 7 1 14 28 29 1 15 21 18 1 16 21 25 1 17 18 48 1 18 18 9 1 19 15 23 1 20 15 43 1 21 15 6 1 22 23 11 2 23 35 9 1 24 62 26 1 25 34 6 1 26 9 11 1 27 9 8 1 28 57 24 1 29 1 17 1 30 2 29 2 31 11 5 1 32 29 19 1 33 6 7 1 34 6 4 1 35 7 26 1 36 7 10 1 37 63 26 1 38 26 61 1 39 25 59 1 40 25 60 1 41 25 17 1 42 58 24 1 43 24 5 1 44 24 56 1 45 17 8 1 46 17 47 1 47 65 27 1 48 36 10 1 49 8 27 1 50 8 16 1 51 5 4 1 52 5 13 1 53 53 22 1 54 10 19 1 55 10 14 1 56 4 22 1 57 4 12 1 58 19 31 1 59 19 32 1 60 70 31 1 61 27 66 1 62 27 64 1 63 54 22 1 64 22 52 1 65 46 16 1 66 31 71 1 67 31 69 1 68 16 13 1 69 16 45 1 70 38 12 1 71 13 40 1 72 13 39 1 73 12 14 1 74 12 37 1 75 14 42 1 76 14 41 1