@MOLECULE 21,29-epoxylup-20(30)-ene-3,29-dione 77 82 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.1841 0.4773 0.1917 O.3 1 UNL1111111111 -0.4068 2 O 6.5864 1.6960 -0.2576 O.2 1 UNL1111111111 -0.4705 3 O -6.2574 2.0624 -1.3677 O.2 1 UNL1111111111 -0.4371 4 C -0.5251 -1.2363 0.3572 C.3 1 UNL1111111111 0.0524 5 C 0.8392 -0.8403 -0.3438 C.3 1 UNL1111111111 0.0637 6 C -1.4486 0.0237 0.3228 C.3 1 UNL1111111111 -0.1280 7 C 1.4774 0.3159 0.4821 C.3 1 UNL1111111111 -0.1456 8 C -2.8350 -0.3444 0.8372 C.3 1 UNL1111111111 -0.1458 9 C -3.4962 -1.4445 -0.0457 C.3 1 UNL1111111111 0.0874 10 C 2.9399 0.7119 0.0980 C.3 1 UNL1111111111 0.0678 11 C -1.2024 -2.4207 -0.3802 C.3 1 UNL1111111111 -0.2932 12 C -0.8139 1.1644 1.1299 C.3 1 UNL1111111111 -0.2888 13 C 0.5416 1.5378 0.5185 C.3 1 UNL1111111111 -0.2798 14 C 3.8044 -0.5794 0.0927 C.3 1 UNL1111111111 -0.1388 15 C 1.8038 -2.0469 -0.3349 C.3 1 UNL1111111111 -0.3011 16 C -3.9172 0.7366 0.9946 C.3 1 UNL1111111111 -0.1787 17 C -2.6396 -2.7093 0.0916 C.3 1 UNL1111111111 -0.2933 18 C -4.9090 -1.5379 0.5821 C.3 1 UNL1111111111 -0.3485 19 C 3.2052 -1.6605 -0.8144 C.3 1 UNL1111111111 -0.2699 20 C -5.2339 -0.1184 1.0793 C.3 1 UNL1111111111 0.1167 21 C -0.2852 -1.7091 1.8063 C.3 1 UNL1111111111 -0.4668 22 C 0.5805 -0.4453 -1.8073 C.3 1 UNL1111111111 -0.4639 23 C 3.4650 1.6475 1.2330 C.3 1 UNL1111111111 -0.2886 24 C 5.2965 -0.3226 -0.2488 C.3 1 UNL1111111111 -0.0167 25 C -3.6329 -1.0927 -1.5318 C.3 1 UNL1111111111 -0.4606 26 C 3.0246 1.4856 -1.2192 C.3 1 UNL1111111111 -0.4648 27 C -4.1814 1.6619 -0.1472 C.2 1 UNL1111111111 -0.1179 28 C 4.9754 1.5688 1.4735 C.3 1 UNL1111111111 -0.3860 29 C 5.7021 1.0595 0.2571 C.2 1 UNL1111111111 0.4725 30 C 5.6304 -0.4199 -1.7394 C.3 1 UNL1111111111 -0.4497 31 C 6.1782 -1.3271 0.5180 C.3 1 UNL1111111111 -0.4554 32 C -5.6061 1.4806 -0.5473 C.2 1 UNL1111111111 0.5791 33 C -3.3797 2.5332 -0.7513 C.2 1 UNL1111111111 -0.2398 34 H -1.5492 0.3605 -0.7385 H 1 UNL1111111111 0.1502 35 H 1.5561 -0.0729 1.5342 H 1 UNL1111111111 0.1377 36 H -2.6989 -0.7790 1.8664 H 1 UNL1111111111 0.1436 37 H -0.5912 -3.3325 -0.2471 H 1 UNL1111111111 0.1362 38 H -1.2164 -2.2305 -1.4701 H 1 UNL1111111111 0.1445 39 H -0.6956 0.8760 2.1894 H 1 UNL1111111111 0.1381 40 H -1.4801 2.0467 1.1437 H 1 UNL1111111111 0.1371 41 H 0.3977 1.9429 -0.5003 H 1 UNL1111111111 0.1421 42 H 0.9964 2.3567 1.1050 H 1 UNL1111111111 0.1352 43 H 3.7715 -0.9743 1.1431 H 1 UNL1111111111 0.1401 44 H 1.4031 -2.8523 -0.9774 H 1 UNL1111111111 0.1383 45 H 1.8733 -2.4756 0.6819 H 1 UNL1111111111 0.1381 46 H -3.7457 1.3222 1.9239 H 1 UNL1111111111 0.1572 47 H -3.0685 -3.5348 -0.5052 H 1 UNL1111111111 0.1402 48 H -2.6358 -3.0694 1.1355 H 1 UNL1111111111 0.1360 49 H -4.9365 -2.2627 1.4098 H 1 UNL1111111111 0.1471 50 H -5.6644 -1.8794 -0.1474 H 1 UNL1111111111 0.1721 51 H 3.8565 -2.5555 -0.8138 H 1 UNL1111111111 0.1347 52 H 3.1689 -1.3171 -1.8647 H 1 UNL1111111111 0.1451 53 H -5.7241 -0.0925 2.0666 H 1 UNL1111111111 0.1388 54 H 0.3025 -2.6327 1.8336 H 1 UNL1111111111 0.1444 55 H 0.2435 -0.9651 2.4104 H 1 UNL1111111111 0.1460 56 H -1.2308 -1.9214 2.3172 H 1 UNL1111111111 0.1460 57 H 0.0157 0.4885 -1.8908 H 1 UNL1111111111 0.1467 58 H 1.5194 -0.2981 -2.3540 H 1 UNL1111111111 0.1539 59 H 0.0248 -1.2199 -2.3458 H 1 UNL1111111111 0.1423 60 H 2.9467 1.4171 2.1833 H 1 UNL1111111111 0.1399 61 H 3.1868 2.6919 0.9922 H 1 UNL1111111111 0.1473 62 H -4.3637 -0.2968 -1.7059 H 1 UNL1111111111 0.1537 63 H -2.6848 -0.7575 -1.9657 H 1 UNL1111111111 0.1495 64 H -3.9690 -1.9622 -2.1089 H 1 UNL1111111111 0.1481 65 H 2.8587 0.8373 -2.0866 H 1 UNL1111111111 0.1505 66 H 2.2835 2.2897 -1.2685 H 1 UNL1111111111 0.1471 67 H 4.0091 1.9545 -1.3493 H 1 UNL1111111111 0.1550 68 H 5.2001 0.9039 2.3312 H 1 UNL1111111111 0.1607 69 H 5.3692 2.5656 1.7610 H 1 UNL1111111111 0.1696 70 H 6.6549 -0.0640 -1.9313 H 1 UNL1111111111 0.1676 71 H 5.5693 -1.4489 -2.1063 H 1 UNL1111111111 0.1450 72 H 4.9667 0.1972 -2.3532 H 1 UNL1111111111 0.1512 73 H 5.9452 -2.3559 0.2223 H 1 UNL1111111111 0.1527 74 H 7.2421 -1.1593 0.3051 H 1 UNL1111111111 0.1584 75 H 6.0413 -1.2558 1.6011 H 1 UNL1111111111 0.1425 76 H -2.3424 2.6882 -0.4882 H 1 UNL1111111111 0.1589 77 H -3.7123 3.1627 -1.5703 H 1 UNL1111111111 0.1675 @BOND 1 1 20 1 2 1 32 1 3 2 29 2 4 3 32 2 5 4 5 1 6 4 6 1 7 4 11 1 8 4 21 1 9 5 7 1 10 5 15 1 11 5 22 1 12 6 8 1 13 6 12 1 14 6 34 1 15 7 10 1 16 7 13 1 17 7 35 1 18 8 9 1 19 8 16 1 20 8 36 1 21 9 17 1 22 9 18 1 23 9 25 1 24 10 14 1 25 10 23 1 26 10 26 1 27 11 17 1 28 11 37 1 29 11 38 1 30 12 13 1 31 12 39 1 32 12 40 1 33 13 41 1 34 13 42 1 35 14 19 1 36 14 24 1 37 14 43 1 38 15 19 1 39 15 44 1 40 15 45 1 41 16 20 1 42 16 27 1 43 16 46 1 44 17 47 1 45 17 48 1 46 18 20 1 47 18 49 1 48 18 50 1 49 19 51 1 50 19 52 1 51 20 53 1 52 21 54 1 53 21 55 1 54 21 56 1 55 22 57 1 56 22 58 1 57 22 59 1 58 23 28 1 59 23 60 1 60 23 61 1 61 24 29 1 62 24 30 1 63 24 31 1 64 25 62 1 65 25 63 1 66 25 64 1 67 26 65 1 68 26 66 1 69 26 67 1 70 27 32 1 71 27 33 2 72 28 29 1 73 28 68 1 74 28 69 1 75 30 70 1 76 30 71 1 77 30 72 1 78 31 73 1 79 31 74 1 80 31 75 1 81 33 76 1 82 33 77 1