@MOLECULE ethyl (1s,3's,5r,13r,17s)-10,17-dihydroxy-4-methylspiro[12-oxa-4-azapentacyclo[9.6.1.0~1,13~.0~5,17~.0~7,18~]octadeca-7(18),8,10-triene-14,2'-oxirane]-3'-carboxylate 53 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7005 0.6608 1.6183 O.3 1 UNL1111111111 -0.2779 2 O -1.1907 -0.3773 -0.6986 O.3 1 UNL1111111111 -0.2713 3 O 2.2711 2.5507 -0.1771 O.3 1 UNL1111111111 -0.5735 4 O -4.2602 0.4741 0.3755 O.3 1 UNL1111111111 -0.3927 5 O -3.3657 1.8037 -1.2147 O.2 1 UNL1111111111 -0.5100 6 O -1.9886 -3.0730 -0.0242 O.3 1 UNL1111111111 -0.4428 7 N 3.8903 0.5002 -0.9269 N.3 1 UNL1111111111 -0.4430 8 C 1.0418 0.4869 -0.5277 C.3 1 UNL1111111111 -0.0330 9 C 2.0010 1.2846 0.3771 C.3 1 UNL1111111111 0.2966 10 C -0.9271 1.5123 0.7648 C.3 1 UNL1111111111 0.1295 11 C -0.4617 0.8828 -0.5408 C.3 1 UNL1111111111 0.0533 12 C 3.3388 0.4615 0.4496 C.3 1 UNL1111111111 -0.0154 13 C 1.3698 1.5976 1.7356 C.3 1 UNL1111111111 -0.2995 14 C 0.0707 2.3763 1.4928 C.3 1 UNL1111111111 -0.2734 15 C 1.6288 0.4501 -1.9451 C.3 1 UNL1111111111 -0.2855 16 C 0.9245 -0.9019 0.0274 C.ar 1 UNL1111111111 -0.1222 17 C -2.3910 1.7335 0.9830 C.3 1 UNL1111111111 -0.1119 18 C 3.1659 -0.9560 1.0630 C.3 1 UNL1111111111 -0.3218 19 C 3.0316 -0.1890 -1.9218 C.3 1 UNL1111111111 -0.1095 20 C 1.8773 -1.6259 0.7149 C.ar 1 UNL1111111111 -0.0015 21 C -0.3852 -1.3495 -0.1625 C.ar 1 UNL1111111111 0.1406 22 C -3.3564 1.3514 -0.0979 C.2 1 UNL1111111111 0.5996 23 C 1.5272 -2.9199 1.1177 C.ar 1 UNL1111111111 -0.1707 24 C 5.2774 0.0019 -0.9901 C.3 1 UNL1111111111 -0.2714 25 C -0.7254 -2.6420 0.2268 C.ar 1 UNL1111111111 0.1889 26 C 0.2519 -3.4256 0.8562 C.ar 1 UNL1111111111 -0.2288 27 C -5.1435 -0.1262 -0.5812 C.3 1 UNL1111111111 0.0076 28 C -4.3723 -1.1041 -1.4475 C.3 1 UNL1111111111 -0.4902 29 H -0.7694 1.4814 -1.4225 H 1 UNL1111111111 0.1811 30 H 4.0515 1.0360 1.0974 H 1 UNL1111111111 0.1461 31 H 2.0661 2.1992 2.3484 H 1 UNL1111111111 0.1538 32 H 1.1683 0.6650 2.2964 H 1 UNL1111111111 0.1623 33 H -0.3436 2.7255 2.4592 H 1 UNL1111111111 0.1542 34 H 0.2861 3.2917 0.8963 H 1 UNL1111111111 0.1799 35 H 1.6765 1.4762 -2.3590 H 1 UNL1111111111 0.1597 36 H 0.9702 -0.1292 -2.6213 H 1 UNL1111111111 0.1585 37 H -2.7647 2.5134 1.6547 H 1 UNL1111111111 0.1790 38 H 3.2369 -0.8741 2.1694 H 1 UNL1111111111 0.1601 39 H 4.0240 -1.5905 0.7621 H 1 UNL1111111111 0.1575 40 H 2.9448 -1.2802 -1.7242 H 1 UNL1111111111 0.1315 41 H 3.5076 -0.0748 -2.9206 H 1 UNL1111111111 0.1374 42 H 2.9637 2.4824 -0.8778 H 1 UNL1111111111 0.3488 43 H 2.2485 -3.5347 1.6495 H 1 UNL1111111111 0.1550 44 H 5.3834 -1.0801 -0.8162 H 1 UNL1111111111 0.1227 45 H 5.8963 0.5373 -0.2514 H 1 UNL1111111111 0.1450 46 H 5.6907 0.2334 -1.9873 H 1 UNL1111111111 0.1480 47 H 0.0038 -4.4369 1.1683 H 1 UNL1111111111 0.1585 48 H -2.1496 -3.9647 0.3735 H 1 UNL1111111111 0.3198 49 H -5.6396 0.6659 -1.1682 H 1 UNL1111111111 0.1321 50 H -5.8705 -0.6241 0.0875 H 1 UNL1111111111 0.1369 51 H -5.0361 -1.7703 -2.0045 H 1 UNL1111111111 0.1480 52 H -3.6987 -1.7281 -0.8363 H 1 UNL1111111111 0.1839 53 H -3.7290 -0.5813 -2.1702 H 1 UNL1111111111 0.1703 @BOND 1 1 10 1 2 1 17 1 3 2 11 1 4 2 21 1 5 3 9 1 6 3 42 1 7 4 22 1 8 4 27 1 9 5 22 2 10 6 25 1 11 6 48 1 12 7 12 1 13 7 19 1 14 7 24 1 15 8 9 1 16 8 11 1 17 8 15 1 18 8 16 1 19 9 12 1 20 9 13 1 21 10 11 1 22 10 14 1 23 10 17 1 24 11 29 1 25 12 18 1 26 12 30 1 27 13 14 1 28 13 31 1 29 13 32 1 30 14 33 1 31 14 34 1 32 15 19 1 33 15 35 1 34 15 36 1 35 16 20 ar 36 16 21 ar 37 17 22 1 38 17 37 1 39 18 20 1 40 18 38 1 41 18 39 1 42 19 40 1 43 19 41 1 44 20 23 ar 45 21 25 ar 46 23 26 ar 47 23 43 1 48 24 44 1 49 24 45 1 50 24 46 1 51 25 26 ar 52 26 47 1 53 27 28 1 54 27 49 1 55 27 50 1 56 28 51 1 57 28 52 1 58 28 53 1