@MOLECULE (6beta,15e)-6,12-dihydroxysenecionan-11,16-dione 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1046 -0.5244 -0.3195 O.3 1 UNL1111111111 -0.3902 2 O 3.0928 -2.1031 -0.1216 O.3 1 UNL1111111111 -0.5317 3 O -1.0054 1.6119 -1.0572 O.3 1 UNL1111111111 -0.3957 4 O -3.4960 0.7042 1.2702 O.3 1 UNL1111111111 -0.5404 5 O 0.7106 -2.1172 -1.8647 O.2 1 UNL1111111111 -0.5045 6 O -1.7774 2.7577 0.7247 O.2 1 UNL1111111111 -0.5285 7 N 3.3219 1.3747 0.6230 N.3 1 UNL1111111111 -0.4214 8 C 2.4499 1.3923 -0.6064 C.3 1 UNL1111111111 0.0022 9 C 2.2405 -0.0779 -1.0433 C.3 1 UNL1111111111 0.0625 10 C 3.4929 -0.8013 -0.4773 C.3 1 UNL1111111111 0.0865 11 C 3.8661 0.0060 0.7907 C.3 1 UNL1111111111 -0.1705 12 C 1.1783 2.0938 -0.1908 C.2 1 UNL1111111111 -0.1001 13 C 2.4638 1.8405 1.7590 C.3 1 UNL1111111111 -0.1239 14 C 1.1857 2.3318 1.1291 C.2 1 UNL1111111111 -0.1300 15 C 0.1348 2.4681 -1.1727 C.3 1 UNL1111111111 -0.0134 16 C -2.4296 -0.6295 -0.3511 C.3 1 UNL1111111111 -0.0873 17 C -2.9818 0.7773 -0.0369 C.3 1 UNL1111111111 0.2515 18 C -1.4134 -1.0384 0.7386 C.3 1 UNL1111111111 -0.2717 19 C 0.4811 -1.6448 -0.7818 C.2 1 UNL1111111111 0.6107 20 C -0.5021 -2.1013 0.2285 C.2 1 UNL1111111111 -0.1335 21 C -1.8621 1.8330 -0.0434 C.2 1 UNL1111111111 0.5378 22 C -3.5607 -1.6555 -0.4279 C.3 1 UNL1111111111 -0.4423 23 C -4.0611 1.2615 -1.0009 C.3 1 UNL1111111111 -0.4985 24 C -0.4919 -3.3912 0.5882 C.2 1 UNL1111111111 -0.0601 25 C -1.4055 -3.9893 1.5959 C.3 1 UNL1111111111 -0.4486 26 H 3.0022 1.9596 -1.3929 H 1 UNL1111111111 0.1557 27 H 2.0930 -0.2210 -2.1278 H 1 UNL1111111111 0.1564 28 H 4.3121 -0.8411 -1.2198 H 1 UNL1111111111 0.1236 29 H 3.4786 -0.5171 1.6895 H 1 UNL1111111111 0.1516 30 H 4.9636 0.1077 0.9109 H 1 UNL1111111111 0.1467 31 H 3.0170 2.6633 2.2630 H 1 UNL1111111111 0.1564 32 H 2.2665 1.0566 2.5175 H 1 UNL1111111111 0.1426 33 H 0.4237 2.8118 1.7212 H 1 UNL1111111111 0.1758 34 H -0.1855 3.5239 -1.0573 H 1 UNL1111111111 0.1512 35 H 0.4356 2.2824 -2.2244 H 1 UNL1111111111 0.1519 36 H 3.8673 -2.6971 -0.0669 H 1 UNL1111111111 0.3154 37 H -1.9098 -0.5832 -1.3427 H 1 UNL1111111111 0.1611 38 H -1.9550 -1.3540 1.6541 H 1 UNL1111111111 0.1700 39 H -0.8134 -0.1590 1.0650 H 1 UNL1111111111 0.1650 40 H -3.1569 -2.6724 -0.5172 H 1 UNL1111111111 0.1533 41 H -4.1900 -1.6207 0.4706 H 1 UNL1111111111 0.1571 42 H -4.2059 -1.4868 -1.2955 H 1 UNL1111111111 0.1402 43 H -4.9781 0.6679 -0.8777 H 1 UNL1111111111 0.1735 44 H -4.3362 2.3077 -0.8201 H 1 UNL1111111111 0.1574 45 H -3.7408 1.1715 -2.0459 H 1 UNL1111111111 0.1667 46 H 0.2293 -4.0866 0.1470 H 1 UNL1111111111 0.1564 47 H -3.5960 1.6016 1.6631 H 1 UNL1111111111 0.3338 48 H -1.5878 -5.0537 1.4005 H 1 UNL1111111111 0.1517 49 H -2.3868 -3.4918 1.6285 H 1 UNL1111111111 0.1636 50 H -0.9721 -3.9105 2.6062 H 1 UNL1111111111 0.1644 @BOND 1 1 9 1 2 1 19 1 3 2 10 1 4 2 36 1 5 3 15 1 6 3 21 1 7 4 17 1 8 4 47 1 9 5 19 2 10 6 21 2 11 7 8 1 12 7 11 1 13 7 13 1 14 8 9 1 15 8 12 1 16 8 26 1 17 9 10 1 18 9 27 1 19 10 11 1 20 10 28 1 21 11 29 1 22 11 30 1 23 12 14 2 24 12 15 1 25 13 14 1 26 13 31 1 27 13 32 1 28 14 33 1 29 15 34 1 30 15 35 1 31 16 17 1 32 16 18 1 33 16 22 1 34 16 37 1 35 17 21 1 36 17 23 1 37 18 20 1 38 18 38 1 39 18 39 1 40 19 20 1 41 20 24 2 42 22 40 1 43 22 41 1 44 22 42 1 45 23 43 1 46 23 44 1 47 23 45 1 48 24 25 1 49 24 46 1 50 25 48 1 51 25 49 1 52 25 50 1