@MOLECULE (2s,6'r,11'r,13'r,15's,16'r,19'z,21'e,23'r,27'r)-27'-hydroxy-23'-[(1s)-1-hydroxyethyl]-9',15'-dimethyl-3'h,18'h-spiro[oxirane-2,14'-[4,12,17,24]tetraoxapentacyclo[21.3.1.1~13,16~.0~6,11~.0~6,15~]octacosa[1,9,19,21]tetraene]-3',18'-dione 74 79 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6446 -3.1448 1.2088 O.3 1 UNL1111111111 -0.3219 2 O 4.2592 -0.7815 -1.0706 O.3 1 UNL1111111111 -0.3967 3 O 0.0805 -1.8793 -0.2533 O.3 1 UNL1111111111 -0.4158 4 O 0.9463 1.7494 -0.5451 O.3 1 UNL1111111111 -0.4327 5 O -0.5908 -1.9717 -2.3952 O.2 1 UNL1111111111 -0.5228 6 O -0.6494 2.2058 0.9711 O.2 1 UNL1111111111 -0.5497 7 O -4.4071 -0.3767 -0.4844 O.3 1 UNL1111111111 -0.3861 8 O -4.4140 2.6997 -0.3443 O.3 1 UNL1111111111 -0.5567 9 O -6.1642 1.0453 0.7756 O.3 1 UNL1111111111 -0.5671 10 C 2.0043 -0.7496 0.6314 C.3 1 UNL1111111111 0.0159 11 C 3.0190 -1.8950 0.6414 C.3 1 UNL1111111111 0.0769 12 C 2.8252 0.5652 0.4304 C.3 1 UNL1111111111 -0.0393 13 C 3.4867 -1.9296 -0.8148 C.3 1 UNL1111111111 0.0979 14 C 1.2010 -1.0912 -0.6762 C.3 1 UNL1111111111 0.1181 15 C 3.7561 -2.4582 1.7937 C.3 1 UNL1111111111 -0.1552 16 C 2.1480 -1.9201 -1.5688 C.3 1 UNL1111111111 -0.3699 17 C 3.5868 0.4737 -0.9211 C.3 1 UNL1111111111 0.1080 18 C 1.1175 -0.7143 1.8597 C.3 1 UNL1111111111 -0.4534 19 C 3.8756 0.7262 1.5530 C.3 1 UNL1111111111 -0.2829 20 C 1.9494 1.8327 0.4605 C.3 1 UNL1111111111 -0.0384 21 C 4.7061 1.4627 -1.0515 C.2 1 UNL1111111111 -0.2481 22 C 4.7224 1.9943 1.3828 C.3 1 UNL1111111111 -0.2912 23 C 5.2203 2.1440 -0.0219 C.2 1 UNL1111111111 0.0650 24 C -0.7878 -2.2339 -1.2323 C.2 1 UNL1111111111 0.6144 25 C 6.3319 3.1239 -0.1993 C.3 1 UNL1111111111 -0.4660 26 C -0.3519 1.9265 -0.1669 C.2 1 UNL1111111111 0.6438 27 C -1.9729 -2.9329 -0.7102 C.2 1 UNL1111111111 -0.3017 28 C -1.2226 1.6550 -1.3061 C.2 1 UNL1111111111 -0.3639 29 C -2.6732 -2.5123 0.3488 C.2 1 UNL1111111111 -0.0181 30 C -2.5562 1.5662 -1.2080 C.2 1 UNL1111111111 0.1413 31 C -3.3787 1.8244 0.0299 C.3 1 UNL1111111111 0.0644 32 C -3.8674 0.4288 0.5345 C.3 1 UNL1111111111 0.1774 33 C -3.4169 1.0212 -2.2945 C.3 1 UNL1111111111 -0.3473 34 C -2.2327 -1.4232 1.2118 C.2 1 UNL1111111111 -0.1476 35 C -2.7213 -0.1863 1.2899 C.2 1 UNL1111111111 -0.2237 36 C -3.8499 -0.3607 -1.7865 C.3 1 UNL1111111111 -0.0306 37 C -5.0672 0.5577 1.5379 C.3 1 UNL1111111111 0.1596 38 C -5.4594 -0.7859 2.1394 C.3 1 UNL1111111111 -0.4952 39 H 4.1703 -2.7548 -1.0788 H 1 UNL1111111111 0.1566 40 H 0.7968 -0.2048 -1.1995 H 1 UNL1111111111 0.1610 41 H 4.7230 -2.9369 1.6576 H 1 UNL1111111111 0.1525 42 H 3.5876 -2.0963 2.8044 H 1 UNL1111111111 0.1493 43 H 1.7658 -2.9482 -1.7035 H 1 UNL1111111111 0.1757 44 H 2.2386 -1.4995 -2.5832 H 1 UNL1111111111 0.1740 45 H 2.8721 0.5829 -1.7722 H 1 UNL1111111111 0.1422 46 H 0.2635 -0.0357 1.7203 H 1 UNL1111111111 0.1676 47 H 0.7164 -1.7190 2.0719 H 1 UNL1111111111 0.1698 48 H 1.6564 -0.3906 2.7560 H 1 UNL1111111111 0.1436 49 H 4.5626 -0.1460 1.5291 H 1 UNL1111111111 0.1644 50 H 3.3916 0.7201 2.5447 H 1 UNL1111111111 0.1392 51 H 1.5075 1.9909 1.4625 H 1 UNL1111111111 0.1578 52 H 2.5276 2.7315 0.1686 H 1 UNL1111111111 0.1460 53 H 5.0929 1.5604 -2.0629 H 1 UNL1111111111 0.1583 54 H 5.5787 1.9559 2.0883 H 1 UNL1111111111 0.1504 55 H 4.1476 2.8961 1.6773 H 1 UNL1111111111 0.1493 56 H 6.5357 3.3450 -1.2561 H 1 UNL1111111111 0.1572 57 H 7.2675 2.7357 0.2302 H 1 UNL1111111111 0.1595 58 H 6.1164 4.0811 0.2942 H 1 UNL1111111111 0.1549 59 H -2.2758 -3.7882 -1.3165 H 1 UNL1111111111 0.1846 60 H -0.7080 1.4572 -2.2514 H 1 UNL1111111111 0.1979 61 H -3.6122 -2.9935 0.6458 H 1 UNL1111111111 0.1641 62 H -2.8304 2.3876 0.8250 H 1 UNL1111111111 0.1816 63 H -4.2964 1.6780 -2.4762 H 1 UNL1111111111 0.1872 64 H -2.8995 0.9312 -3.2686 H 1 UNL1111111111 0.1679 65 H -1.3811 -1.7170 1.8487 H 1 UNL1111111111 0.1787 66 H -2.2593 0.5226 1.9938 H 1 UNL1111111111 0.1747 67 H -4.6919 -0.7720 -2.3770 H 1 UNL1111111111 0.1462 68 H -3.0001 -1.0667 -1.8126 H 1 UNL1111111111 0.1404 69 H -4.8187 1.3140 2.3157 H 1 UNL1111111111 0.1239 70 H -5.2906 2.2557 -0.2408 H 1 UNL1111111111 0.3535 71 H -4.6373 -1.2392 2.7046 H 1 UNL1111111111 0.1622 72 H -6.3182 -0.6933 2.8116 H 1 UNL1111111111 0.1471 73 H -5.7424 -1.4902 1.3416 H 1 UNL1111111111 0.1757 74 H -6.9234 1.2465 1.3538 H 1 UNL1111111111 0.3239 @BOND 1 1 11 1 2 1 15 1 3 2 13 1 4 2 17 1 5 3 14 1 6 3 24 1 7 4 20 1 8 4 26 1 9 5 24 2 10 6 26 2 11 7 32 1 12 7 36 1 13 8 31 1 14 8 70 1 15 9 37 1 16 9 74 1 17 10 11 1 18 10 12 1 19 10 14 1 20 10 18 1 21 11 13 1 22 11 15 1 23 12 17 1 24 12 19 1 25 12 20 1 26 13 16 1 27 13 39 1 28 14 16 1 29 14 40 1 30 15 41 1 31 15 42 1 32 16 43 1 33 16 44 1 34 17 21 1 35 17 45 1 36 18 46 1 37 18 47 1 38 18 48 1 39 19 22 1 40 19 49 1 41 19 50 1 42 20 51 1 43 20 52 1 44 21 23 2 45 21 53 1 46 22 23 1 47 22 54 1 48 22 55 1 49 23 25 1 50 24 27 1 51 25 56 1 52 25 57 1 53 25 58 1 54 26 28 1 55 27 29 2 56 27 59 1 57 28 30 2 58 28 60 1 59 29 34 1 60 29 61 1 61 30 31 1 62 30 33 1 63 31 32 1 64 31 62 1 65 32 35 1 66 32 37 1 67 33 36 1 68 33 63 1 69 33 64 1 70 34 35 2 71 34 65 1 72 35 66 1 73 36 67 1 74 36 68 1 75 37 38 1 76 37 69 1 77 38 71 1 78 38 72 1 79 38 73 1