@MOLECULE (1r,3r,7s,8s,10r,11r,12r,13s,16s,17r)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0~1,11~.0~3,7~.0~7,11~.0~13,17~]nonadecane-5,15,18-trione 54 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3694 -0.6295 1.6560 O.3 1 UNL1111111111 -0.0832 2 O 0.5442 -2.6843 -0.8868 O.3 1 UNL1111111111 -0.1759 3 O -0.0419 1.6480 1.6881 O.3 1 UNL1111111111 -0.2331 4 O -3.1626 0.8870 -1.2714 O.3 1 UNL1111111111 -0.1884 5 O -2.7667 -2.1234 -0.2740 O.3 1 UNL1111111111 -0.4200 6 O -0.2627 0.7100 -2.7254 O.3 1 UNL1111111111 -0.4519 7 O 1.5605 2.2345 -1.4268 O.3 1 UNL1111111111 -0.3900 8 O -0.5710 -3.4986 0.8635 O.2 1 UNL1111111111 -0.0966 9 O -0.0951 3.6034 0.6275 O.2 1 UNL1111111111 -0.1893 10 O -4.5109 1.8035 0.2349 O.2 1 UNL1111111111 -0.2093 11 C 0.1857 -0.3179 -0.6613 C.3 1 UNL1111111111 0.6715 12 C 1.2923 0.3575 0.1994 C.3 1 UNL1111111111 -0.0081 13 C -0.6868 -1.0852 0.3645 C.3 1 UNL1111111111 -0.2778 14 C 0.8835 -1.4227 -1.4892 C.3 1 UNL1111111111 0.0442 15 C 2.5007 -0.6012 0.1252 C.3 1 UNL1111111111 -0.1980 16 C -2.1743 -0.8949 -0.0027 C.3 1 UNL1111111111 0.2731 17 C -0.7962 0.5740 -1.4283 C.3 1 UNL1111111111 -0.5597 18 C 0.6100 0.3859 1.6011 C.3 1 UNL1111111111 0.0577 19 C -2.1731 -0.1163 -1.3618 C.3 1 UNL1111111111 -0.1352 20 C 2.3828 -1.2206 -1.2836 C.3 1 UNL1111111111 -0.5927 21 C 1.5192 1.8427 -0.1022 C.3 1 UNL1111111111 -0.2784 22 C -0.2646 -2.5515 0.2045 C.2 1 UNL1111111111 -0.0062 23 C 3.9250 -0.0890 0.4504 C.3 1 UNL1111111111 0.6491 24 C -2.9962 -0.0067 0.9436 C.3 1 UNL1111111111 0.0373 25 C 0.3928 2.5223 0.6981 C.2 1 UNL1111111111 0.1357 26 C -3.6682 0.9895 0.0203 C.2 1 UNL1111111111 0.1519 27 C 4.8350 -1.3291 0.6066 C.3 1 UNL1111111111 -0.9783 28 C 4.5215 0.7969 -0.6487 C.3 1 UNL1111111111 -1.0373 29 C 3.9317 0.6528 1.7978 C.3 1 UNL1111111111 -1.0696 30 C -4.0332 -0.7675 1.7501 C.3 1 UNL1111111111 -0.9130 31 H 0.5564 -1.5079 -2.5425 H 1 UNL1111111111 0.1632 32 H 2.2964 -1.4240 0.8681 H 1 UNL1111111111 0.1946 33 H -0.9000 1.6049 -1.0026 H 1 UNL1111111111 0.2641 34 H 1.2103 0.2562 2.5176 H 1 UNL1111111111 0.1974 35 H -2.4298 -0.7404 -2.2392 H 1 UNL1111111111 0.2378 36 H 2.7957 -0.5500 -2.0594 H 1 UNL1111111111 0.2137 37 H 2.9346 -2.1734 -1.3645 H 1 UNL1111111111 0.2533 38 H 2.5023 2.2196 0.2930 H 1 UNL1111111111 0.3312 39 H -2.3190 0.5589 1.6466 H 1 UNL1111111111 0.1829 40 H -2.8054 -2.6989 0.5313 H 1 UNL1111111111 0.3691 41 H -0.8911 1.1928 -3.3144 H 1 UNL1111111111 0.3933 42 H 4.4990 -1.9831 1.4178 H 1 UNL1111111111 0.2753 43 H 5.8648 -1.0322 0.8337 H 1 UNL1111111111 0.2819 44 H 4.8689 -1.9280 -0.3088 H 1 UNL1111111111 0.2607 45 H 3.8209 1.5510 -1.0253 H 1 UNL1111111111 0.2708 46 H 4.8369 0.2071 -1.5173 H 1 UNL1111111111 0.2758 47 H 5.4094 1.3302 -0.2907 H 1 UNL1111111111 0.2837 48 H 3.3929 1.6032 1.7635 H 1 UNL1111111111 0.2663 49 H 4.9591 0.8912 2.1037 H 1 UNL1111111111 0.3029 50 H 3.5006 0.0417 2.5978 H 1 UNL1111111111 0.2951 51 H -3.5629 -1.4405 2.4791 H 1 UNL1111111111 0.2788 52 H -4.6747 -0.0754 2.3186 H 1 UNL1111111111 0.2804 53 H -4.6993 -1.3662 1.1116 H 1 UNL1111111111 0.2759 54 H 1.0177 1.6814 -2.0345 H 1 UNL1111111111 0.3233 @BOND 1 1 13 1 2 1 18 1 3 2 14 1 4 2 22 1 5 3 18 1 6 3 25 1 7 4 19 1 8 4 26 1 9 5 16 1 10 5 40 1 11 6 17 1 12 6 41 1 13 7 21 1 14 7 54 1 15 8 22 2 16 9 25 2 17 10 26 2 18 11 12 1 19 11 13 1 20 11 14 1 21 11 17 1 22 12 15 1 23 12 18 1 24 12 21 1 25 13 16 1 26 13 22 1 27 14 20 1 28 14 31 1 29 15 20 1 30 15 23 1 31 15 32 1 32 16 19 1 33 16 24 1 34 17 19 1 35 17 33 1 36 18 34 1 37 19 35 1 38 20 36 1 39 20 37 1 40 21 25 1 41 21 38 1 42 23 27 1 43 23 28 1 44 23 29 1 45 24 26 1 46 24 30 1 47 24 39 1 48 27 42 1 49 27 43 1 50 27 44 1 51 28 45 1 52 28 46 1 53 28 47 1 54 29 48 1 55 29 49 1 56 29 50 1 57 30 51 1 58 30 52 1 59 30 53 1