@MOLECULE 6-hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate 54 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5101 1.7235 0.0351 O.3 1 UNL1111111111 -0.4073 2 O 2.5520 -1.2466 -0.4857 O.3 1 UNL1111111111 -0.4280 3 O 1.2030 -1.8536 2.0401 O.2 1 UNL1111111111 -0.4395 4 O -1.3426 -2.4663 1.4355 O.2 1 UNL1111111111 -0.4409 5 O -0.2608 1.3850 -2.1230 O.2 1 UNL1111111111 -0.4610 6 O 0.8291 -2.0957 -1.6583 O.2 1 UNL1111111111 -0.5139 7 C 1.2139 0.2442 0.8941 C.3 1 UNL1111111111 -0.1031 8 C 0.1829 1.3968 0.8199 C.3 1 UNL1111111111 -0.1075 9 C -1.1388 1.0221 0.1176 C.3 1 UNL1111111111 -0.1244 10 C 2.3662 0.6999 1.8238 C.3 1 UNL1111111111 -0.2709 11 C 3.0850 1.7207 0.9160 C.3 1 UNL1111111111 -0.1137 12 C 0.8311 2.6612 0.2182 C.3 1 UNL1111111111 -0.2836 13 C 1.9486 0.0445 -0.4685 C.3 1 UNL1111111111 0.1151 14 C -1.6205 -0.3641 0.4576 C.2 1 UNL1111111111 -0.0833 15 C -3.0369 -0.6561 0.0308 C.3 1 UNL1111111111 0.0736 16 C 2.2023 2.9813 0.8386 C.3 1 UNL1111111111 -0.2653 17 C -2.2401 2.0096 0.6009 C.3 1 UNL1111111111 -0.0381 18 C -3.5142 0.5750 -0.7928 C.3 1 UNL1111111111 0.1115 19 C 0.5958 -1.0262 1.3995 C.2 1 UNL1111111111 0.4172 20 C 3.1075 1.0210 -0.4215 C.2 1 UNL1111111111 0.0064 21 C -1.1892 1.1083 -1.4151 C.2 1 UNL1111111111 0.5082 22 C -0.8341 -1.2572 1.0774 C.2 1 UNL1111111111 0.0893 23 C -2.5660 0.8438 -1.9681 C.3 1 UNL1111111111 -0.4326 24 C -3.9420 -0.8227 1.2561 C.3 1 UNL1111111111 -0.4506 25 C -3.0883 -1.9186 -0.8357 C.3 1 UNL1111111111 -0.4611 26 C 3.9847 1.1992 -1.4024 C.2 1 UNL1111111111 -0.3310 27 C 1.8996 -2.2497 -1.1304 C.2 1 UNL1111111111 0.6270 28 C 2.7148 -3.4931 -1.0524 C.3 1 UNL1111111111 -0.5060 29 H -0.0831 1.6355 1.8878 H 1 UNL1111111111 0.1504 30 H 3.0230 -0.1521 2.0799 H 1 UNL1111111111 0.1669 31 H 2.0190 1.1277 2.7720 H 1 UNL1111111111 0.1441 32 H 4.0985 1.9692 1.2826 H 1 UNL1111111111 0.1420 33 H 0.1554 3.5260 0.3417 H 1 UNL1111111111 0.1348 34 H 0.9672 2.5437 -0.8783 H 1 UNL1111111111 0.1797 35 H 1.2903 0.1736 -1.3531 H 1 UNL1111111111 0.1861 36 H 2.7065 3.7578 0.2343 H 1 UNL1111111111 0.1385 37 H 2.0792 3.4105 1.8490 H 1 UNL1111111111 0.1358 38 H -2.3843 1.9501 1.6942 H 1 UNL1111111111 0.1391 39 H -2.0235 3.0503 0.3040 H 1 UNL1111111111 0.1361 40 H -4.5760 0.4969 -1.0959 H 1 UNL1111111111 0.1451 41 H -2.9081 1.7167 -2.5592 H 1 UNL1111111111 0.1836 42 H -2.5384 -0.0031 -2.6819 H 1 UNL1111111111 0.1909 43 H -3.9981 0.1018 1.8431 H 1 UNL1111111111 0.1546 44 H -4.9627 -1.0907 0.9662 H 1 UNL1111111111 0.1431 45 H -3.5659 -1.6151 1.9172 H 1 UNL1111111111 0.1638 46 H -4.0517 -2.0274 -1.3398 H 1 UNL1111111111 0.1408 47 H -2.2942 -1.9293 -1.5937 H 1 UNL1111111111 0.1622 48 H -2.9328 -2.8191 -0.2231 H 1 UNL1111111111 0.1719 49 H 3.9452 0.6608 -2.3376 H 1 UNL1111111111 0.1567 50 H 4.8079 1.8932 -1.3504 H 1 UNL1111111111 0.1491 51 H -0.6359 -3.0171 1.8782 H 1 UNL1111111111 0.3387 52 H 3.3509 -3.5171 -0.1517 H 1 UNL1111111111 0.1902 53 H 3.3815 -3.5765 -1.9249 H 1 UNL1111111111 0.1843 54 H 2.0672 -4.3837 -1.0378 H 1 UNL1111111111 0.1849 @BOND 1 1 17 1 2 1 18 1 3 2 13 1 4 2 27 1 5 3 19 2 6 4 22 1 7 4 51 1 8 5 21 2 9 6 27 2 10 7 8 1 11 7 10 1 12 7 13 1 13 7 19 1 14 8 9 1 15 8 12 1 16 8 29 1 17 9 14 1 18 9 17 1 19 9 21 1 20 10 11 1 21 10 30 1 22 10 31 1 23 11 16 1 24 11 20 1 25 11 32 1 26 12 16 1 27 12 33 1 28 12 34 1 29 13 20 1 30 13 35 1 31 14 15 1 32 14 22 2 33 15 18 1 34 15 24 1 35 15 25 1 36 16 36 1 37 16 37 1 38 17 38 1 39 17 39 1 40 18 23 1 41 18 40 1 42 19 22 1 43 20 26 2 44 21 23 1 45 23 41 1 46 23 42 1 47 24 43 1 48 24 44 1 49 24 45 1 50 25 46 1 51 25 47 1 52 25 48 1 53 26 49 1 54 26 50 1 55 27 28 1 56 28 52 1 57 28 53 1 58 28 54 1