@MOLECULE (3beta,11alpha,15beta,24e)-3,11,15,29-tetrahydroxystigmasta-5,24(28)-dien-7-one 71 74 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0388 -3.0261 -0.6642 O.3 1 UNL111111 -0.5969 2 O 2.2125 2.9478 0.2108 O.3 1 UNL111111 -0.5782 3 O 2.1107 -1.9121 -1.9374 O.2 1 UNL111111 -0.4882 4 O 8.0847 -0.3834 0.8349 O.3 1 UNL111111 -0.5704 5 O -8.1082 -2.4615 1.5397 O.3 1 UNL111111 -0.2751 6 C -0.1891 0.2431 -0.7636 C.3 1 UNL111111 0.0878 7 C 0.4693 -0.7358 0.2529 C.3 1 UNL111111 -0.2084 8 C 1.9930 -0.7817 0.1854 C.3 1 UNL111111 -0.2315 9 C 2.4913 0.6275 0.6171 C.3 1 UNL111111 -0.1570 10 C -1.6984 0.0104 -0.4250 C.3 1 UNL111111 -0.1401 11 C 0.3322 1.6394 -0.4067 C.3 1 UNL111111 -0.3730 12 C -0.3839 -2.0229 0.2067 C.3 1 UNL111111 0.1766 13 C 1.8755 1.6814 -0.3409 C.3 1 UNL111111 0.1621 14 C 4.0430 0.6704 0.7173 C.3 1 UNL111111 0.0401 15 C -1.7865 -1.5238 -0.2334 C.3 1 UNL111111 -0.3350 16 C -2.7258 0.5149 -1.4523 C.3 1 UNL111111 -0.0873 17 C 0.0861 -0.0490 -2.2346 C.3 1 UNL111111 -0.4663 18 C 2.6469 -1.1937 -1.1193 C.2 1 UNL111111 0.5018 19 C 4.7094 -0.0233 -0.4437 C.2 1 UNL111111 0.1284 20 C 4.5057 -0.1222 1.9757 C.3 1 UNL111111 -0.2764 21 C 4.5264 2.1199 0.8338 C.3 1 UNL111111 -0.4458 22 C 4.0495 -0.8087 -1.3055 C.2 1 UNL111111 -0.3880 23 C 6.1991 0.0654 -0.4592 C.3 1 UNL111111 -0.3350 24 C -4.1614 0.1300 -1.0427 C.3 1 UNL111111 -0.2754 25 C 6.0333 -0.1792 2.0914 C.3 1 UNL111111 -0.3398 26 C -2.6434 2.0335 -1.6470 C.3 1 UNL111111 -0.4563 27 C 6.6979 -0.6800 0.7982 C.3 1 UNL111111 0.1802 28 C -4.5769 0.7240 0.3106 C.3 1 UNL111111 -0.3195 29 C -5.9548 0.2506 0.6449 C.2 1 UNL111111 0.1900 30 C -7.0457 1.2705 0.5045 C.3 1 UNL111111 -0.6461 31 C -6.1885 -1.0197 1.0212 C.2 1 UNL111111 -0.3755 32 C -7.1437 1.7939 -0.8572 C.3 1 UNL111111 0.1925 33 C -6.9048 2.3433 1.4893 C.3 1 UNL111111 0.1901 34 C -7.4947 -1.4926 1.3274 C.3 1 UNL111111 0.2179 35 H 0.2438 -0.3105 1.2787 H 1 UNL111111 0.1489 36 H 2.3416 -1.5410 0.9395 H 1 UNL111111 0.1727 37 H 2.0962 0.8555 1.6393 H 1 UNL111111 0.1595 38 H -1.9073 0.5124 0.5484 H 1 UNL111111 0.1288 39 H -0.0200 2.3823 -1.1451 H 1 UNL111111 0.1468 40 H -0.0778 1.9703 0.5670 H 1 UNL111111 0.1549 41 H -0.4112 -2.5386 1.1908 H 1 UNL111111 0.1237 42 H 2.3356 1.6137 -1.3486 H 1 UNL111111 0.1238 43 H -2.5554 -1.7987 0.5006 H 1 UNL111111 0.1372 44 H -2.0618 -2.0314 -1.1767 H 1 UNL111111 0.1688 45 H -2.5270 0.0160 -2.4343 H 1 UNL111111 0.1467 46 H -0.1057 -1.1047 -2.4766 H 1 UNL111111 0.1741 47 H 1.1201 0.1644 -2.5223 H 1 UNL111111 0.1499 48 H -0.5453 0.5568 -2.8943 H 1 UNL111111 0.1451 49 H 4.0954 -1.1495 1.9455 H 1 UNL111111 0.1420 50 H 4.0836 0.3515 2.8815 H 1 UNL111111 0.1472 51 H 5.5780 2.1941 1.1277 H 1 UNL111111 0.1455 52 H 4.4148 2.6626 -0.1143 H 1 UNL111111 0.1631 53 H 3.9443 2.6720 1.5860 H 1 UNL111111 0.1674 54 H 4.5384 -1.2791 -2.1600 H 1 UNL111111 0.1892 55 H 6.6526 -0.3817 -1.3653 H 1 UNL111111 0.1680 56 H 6.5671 1.1124 -0.4492 H 1 UNL111111 0.1807 57 H -4.8673 0.4705 -1.8281 H 1 UNL111111 0.1481 58 H -4.2592 -0.9733 -1.0178 H 1 UNL111111 0.1514 59 H 6.4380 0.8233 2.3399 H 1 UNL111111 0.1616 60 H 6.3187 -0.8284 2.9394 H 1 UNL111111 0.1404 61 H 0.7143 -2.6945 -1.3030 H 1 UNL111111 0.3603 62 H -2.6165 2.5662 -0.6926 H 1 UNL111111 0.1400 63 H -1.7484 2.3162 -2.2104 H 1 UNL111111 0.1450 64 H -3.5052 2.4082 -2.2117 H 1 UNL111111 0.1465 65 H 6.5790 -1.7790 0.6775 H 1 UNL111111 0.1184 66 H 1.7597 3.6675 -0.2656 H 1 UNL111111 0.3151 67 H -4.5171 1.8330 0.2747 H 1 UNL111111 0.1543 68 H -3.8594 0.4238 1.1029 H 1 UNL111111 0.1678 69 H 8.5200 -0.8248 1.5863 H 1 UNL111111 0.3170 70 H -8.0663 0.7916 0.7141 H 1 UNL111111 0.2588 71 H -5.3754 -1.7460 1.1105 H 1 UNL111111 0.1890 @BOND 1 55 23 1 2 4 69 1 3 4 27 1 4 54 22 1 5 56 23 1 6 23 27 1 7 23 19 1 8 65 27 1 9 27 25 1 10 22 19 2 11 22 18 1 12 19 14 1 13 3 18 2 14 25 59 1 15 25 60 1 16 25 20 1 17 51 21 1 18 18 8 1 19 52 21 1 20 47 17 1 21 21 14 1 22 21 53 1 23 42 13 1 24 14 20 1 25 14 9 1 26 20 49 1 27 20 50 1 28 61 1 1 29 46 17 1 30 17 48 1 31 17 6 1 32 8 36 1 33 8 9 1 34 8 7 1 35 13 9 1 36 13 2 1 37 13 11 1 38 9 37 1 39 1 12 1 40 2 66 1 41 39 11 1 42 6 7 1 43 6 11 1 44 6 10 1 45 7 12 1 46 7 35 1 47 11 40 1 48 12 41 1 49 12 15 1 50 63 26 1 51 45 16 1 52 44 15 1 53 15 10 1 54 15 43 1 55 10 16 1 56 10 38 1 57 16 26 1 58 16 24 1 59 26 64 1 60 26 62 1 61 58 24 1 62 24 57 1 63 24 28 1 64 68 28 1 65 28 67 1 66 28 29 1 67 71 31 1 68 29 31 2 69 29 30 1 70 32 30 1 71 31 34 1 72 30 70 1 73 30 33 1 74 5 34 1