@MOLECULE methyl (1r,5s,6r,9r,10s,13r,19r,21r)-9-(acetoxymethyl)-21-hydroxy-5-methyl-20-oxa-3-azaheptacyclo[11.5.2.1~6,10~.0~1,9~.0~2,6~.0~13,19~.0~16,19~]henicosa-2,16-diene-17-carboxylate 60 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3894 -0.7051 2.5082 O.3 1 UNL111111 -0.3495 2 O 3.5844 1.7132 -0.5294 O.3 1 UNL111111 -0.5683 3 O 2.6245 -2.5315 0.6244 O.3 1 UNL111111 -0.4320 4 O -3.8107 -1.3407 -1.8869 O.3 1 UNL111111 -0.3975 5 O -4.9870 -0.7193 -0.0759 O.2 1 UNL111111 -0.5174 6 O 2.1770 -3.8602 -1.1553 O.2 1 UNL111111 -0.4834 7 N -1.0304 2.1684 -0.6792 N.2 1 UNL111111 -0.3739 8 C -0.8455 -0.0355 1.3388 C.3 1 UNL111111 0.0796 9 C -0.2132 -0.1161 -0.0218 C.3 1 UNL111111 -0.0007 10 C -0.5190 0.7292 2.5642 C.3 1 UNL111111 0.1665 11 C 1.2292 -0.6686 -0.0010 C.3 1 UNL111111 0.0137 12 C 2.1817 0.3320 0.7270 C.3 1 UNL111111 -0.1600 13 C 1.2386 1.6479 -1.2226 C.3 1 UNL111111 -0.0839 14 C -0.1167 1.2658 -0.6134 C.2 1 UNL111111 0.1633 15 C -2.3311 -0.1256 1.1674 C.2 1 UNL111111 0.1002 16 C -1.3164 -0.9134 -0.8164 C.3 1 UNL111111 -0.2281 17 C 2.2481 1.6628 -0.0592 C.3 1 UNL111111 0.1424 18 C 0.7759 1.4662 2.6815 C.3 1 UNL111111 -0.2951 19 C 1.7256 -0.7934 -1.4651 C.3 1 UNL111111 -0.2855 20 C -1.8390 1.1523 3.1988 C.3 1 UNL111111 -0.2830 21 C 1.9653 0.5908 2.2314 C.3 1 UNL111111 -0.2704 22 C 1.6345 0.5507 -2.2124 C.3 1 UNL111111 -0.2688 23 C -2.9833 0.4884 2.3483 C.3 1 UNL111111 -0.2631 24 C -2.5980 -0.6471 -0.0404 C.2 1 UNL111111 -0.1757 25 C 0.9254 3.0150 -1.8898 C.3 1 UNL111111 -0.1421 26 C 1.2847 -2.0512 0.6598 C.3 1 UNL111111 -0.0386 27 C -0.5167 3.3571 -1.3724 C.3 1 UNL111111 -0.1435 28 C 1.8984 4.1439 -1.5898 C.3 1 UNL111111 -0.4533 29 C -3.9154 -0.8824 -0.6075 C.2 1 UNL111111 0.6180 30 C 2.9658 -3.4282 -0.3400 C.2 1 UNL111111 0.3216 31 C -5.0415 -1.5960 -2.5525 C.3 1 UNL111111 -0.1725 32 C 4.3779 -3.7711 -0.2201 C.3 1 UNL111111 0.3048 33 H 3.2101 -0.1347 0.6504 H 1 UNL111111 0.1823 34 H -1.0893 -1.9921 -0.8573 H 1 UNL111111 0.1636 35 H -1.3940 -0.5652 -1.8614 H 1 UNL111111 0.1709 36 H 2.1030 2.5473 0.5967 H 1 UNL111111 0.1239 37 H 0.9450 1.7865 3.7303 H 1 UNL111111 0.1551 38 H 0.7261 2.3995 2.0843 H 1 UNL111111 0.1549 39 H 1.1459 -1.5730 -1.9945 H 1 UNL111111 0.1605 40 H 2.7742 -1.1441 -1.4695 H 1 UNL111111 0.1488 41 H -1.9407 2.2494 3.1870 H 1 UNL111111 0.1526 42 H -1.8976 0.8262 4.2491 H 1 UNL111111 0.1533 43 H 2.8951 1.0642 2.6162 H 1 UNL111111 0.1460 44 H 1.9032 -0.3888 2.7528 H 1 UNL111111 0.1645 45 H 2.6039 0.7906 -2.6859 H 1 UNL111111 0.1472 46 H 0.8975 0.4842 -3.0340 H 1 UNL111111 0.1466 47 H -3.7379 1.2406 2.0452 H 1 UNL111111 0.1731 48 H -3.5314 -0.2665 2.9450 H 1 UNL111111 0.1705 49 H 0.8801 2.8700 -2.9941 H 1 UNL111111 0.1464 50 H 0.5892 -2.7712 0.1881 H 1 UNL111111 0.1564 51 H 1.0863 -2.0214 1.7501 H 1 UNL111111 0.1719 52 H -0.5200 4.2143 -0.6718 H 1 UNL111111 0.1519 53 H -1.2020 3.6130 -2.2036 H 1 UNL111111 0.1554 54 H 3.6901 2.3931 -1.2217 H 1 UNL111111 0.3141 55 H 1.9911 4.3450 -0.5155 H 1 UNL111111 0.1528 56 H 2.9020 3.9328 -1.9801 H 1 UNL111111 0.1419 57 H 1.5688 5.0798 -2.0621 H 1 UNL111111 0.1534 58 H -5.6297 -0.6753 -2.6257 H 1 UNL111111 0.1378 59 H -5.6086 -2.3668 -2.0201 H 1 UNL111111 0.1381 60 H -4.7208 -1.9457 -3.5400 H 1 UNL111111 0.1421 @BOND 1 32 30 1 2 6 30 2 3 30 3 1 4 3 26 1 5 50 26 1 6 40 19 1 7 26 51 1 8 26 11 1 9 39 19 1 10 19 11 1 11 19 22 1 12 34 16 1 13 33 12 1 14 11 12 1 15 11 9 1 16 45 22 1 17 44 21 1 18 22 46 1 19 22 13 1 20 60 31 1 21 12 21 1 22 12 17 1 23 16 35 1 24 16 9 1 25 16 24 1 26 59 31 1 27 9 8 1 28 9 14 1 29 1 8 1 30 1 10 1 31 2 54 1 32 2 17 1 33 4 31 1 34 4 29 1 35 21 43 1 36 21 18 1 37 31 58 1 38 24 29 1 39 24 15 2 40 8 15 1 41 8 10 1 42 17 13 1 43 17 36 1 44 29 5 2 45 13 14 1 46 13 25 1 47 15 23 1 48 14 7 2 49 10 18 1 50 10 20 1 51 18 37 1 52 18 38 1 53 49 25 1 54 48 23 1 55 25 28 1 56 25 27 1 57 56 28 1 58 23 20 1 59 23 47 1 60 7 27 1 61 42 20 1 62 20 41 1 63 28 55 1 64 28 57 1 65 27 53 1 66 27 52 1