@MOLECULE 3,14-dihydroxy-3beta-carda-4,20(22)-dienolide 59 63 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5993 -1.3882 0.4199 O.3 1 UNL1111111111 -0.5720 2 O 6.0150 0.4229 0.5897 O.3 1 UNL1111111111 -0.3996 3 O -7.0030 -0.6534 -0.2743 O.3 1 UNL1111111111 -0.5610 4 O 6.4100 -1.7763 0.5057 O.2 1 UNL1111111111 -0.4252 5 C 0.7964 -0.3948 -0.1911 C.3 1 UNL1111111111 0.2831 6 C 1.4376 1.0117 0.0133 C.3 1 UNL1111111111 0.0284 7 C -0.6257 -0.5310 0.3878 C.3 1 UNL1111111111 -0.1831 8 C -1.5613 0.5757 -0.1250 C.3 1 UNL1111111111 -0.1265 9 C 2.6421 0.9964 -0.9855 C.3 1 UNL1111111111 -0.1425 10 C -3.0033 0.4254 0.4545 C.3 1 UNL1111111111 0.0565 11 C 0.4326 2.0886 -0.4525 C.3 1 UNL1111111111 -0.2947 12 C 0.9465 -0.6906 -1.6966 C.3 1 UNL1111111111 -0.3006 13 C -0.9399 1.9394 0.2109 C.3 1 UNL1111111111 -0.2850 14 C 2.1417 0.1455 -2.1854 C.3 1 UNL1111111111 -0.2612 15 C -1.1938 -1.9120 0.0422 C.3 1 UNL1111111111 -0.2667 16 C -3.4979 -0.9873 0.2394 C.2 1 UNL1111111111 0.0299 17 C 1.8632 1.2688 1.4524 C.3 1 UNL1111111111 -0.4671 18 C -2.5741 -2.0837 0.6778 C.3 1 UNL1111111111 -0.2914 19 C -3.9130 1.4439 -0.2774 C.3 1 UNL1111111111 -0.2866 20 C 3.8847 0.4297 -0.4055 C.2 1 UNL1111111111 0.0420 21 C -3.0531 0.7044 1.9673 C.3 1 UNL1111111111 -0.4532 22 C -5.3980 1.1292 -0.1031 C.3 1 UNL1111111111 -0.3266 23 C -4.7035 -1.2826 -0.2577 C.2 1 UNL1111111111 -0.2986 24 C -5.7052 -0.2577 -0.6823 C.3 1 UNL1111111111 0.1709 25 C 4.9627 1.3133 0.1938 C.3 1 UNL1111111111 -0.0796 26 C 4.3038 -0.8461 -0.3408 C.2 1 UNL1111111111 -0.3081 27 C 5.6495 -0.8869 0.2688 C.2 1 UNL1111111111 0.5831 28 H -0.5491 -0.4442 1.4998 H 1 UNL1111111111 0.1438 29 H -1.6453 0.4816 -1.2374 H 1 UNL1111111111 0.1423 30 H 2.8475 2.0391 -1.3283 H 1 UNL1111111111 0.1442 31 H 0.3090 2.0307 -1.5546 H 1 UNL1111111111 0.1460 32 H 0.8344 3.0974 -0.2506 H 1 UNL1111111111 0.1397 33 H 0.0252 -0.4395 -2.2397 H 1 UNL1111111111 0.1431 34 H 1.1218 -1.7730 -1.8498 H 1 UNL1111111111 0.1659 35 H -0.8483 2.0617 1.3060 H 1 UNL1111111111 0.1442 36 H -1.6045 2.7589 -0.1262 H 1 UNL1111111111 0.1404 37 H 2.9401 -0.5081 -2.5777 H 1 UNL1111111111 0.1523 38 H 1.8501 0.7999 -3.0219 H 1 UNL1111111111 0.1329 39 H -0.5008 -2.7023 0.3937 H 1 UNL1111111111 0.1567 40 H -1.2683 -2.0430 -1.0522 H 1 UNL1111111111 0.1443 41 H 2.5977 0.5221 1.7920 H 1 UNL1111111111 0.1576 42 H 2.3254 2.2594 1.5644 H 1 UNL1111111111 0.1510 43 H 1.0097 1.2336 2.1354 H 1 UNL1111111111 0.1515 44 H -2.4908 -2.0762 1.7868 H 1 UNL1111111111 0.1518 45 H -2.9799 -3.0832 0.4252 H 1 UNL1111111111 0.1493 46 H -3.6650 1.4602 -1.3560 H 1 UNL1111111111 0.1422 47 H -3.7046 2.4634 0.0987 H 1 UNL1111111111 0.1399 48 H 1.6332 -1.2832 1.3888 H 1 UNL1111111111 0.3163 49 H -2.3243 0.1010 2.5179 H 1 UNL1111111111 0.1467 50 H -2.8558 1.7555 2.1991 H 1 UNL1111111111 0.1455 51 H -4.0458 0.4705 2.3732 H 1 UNL1111111111 0.1506 52 H -5.6853 1.1669 0.9622 H 1 UNL1111111111 0.1470 53 H -6.0187 1.8942 -0.6051 H 1 UNL1111111111 0.1499 54 H -5.0438 -2.3088 -0.3886 H 1 UNL1111111111 0.1632 55 H -5.8144 -0.2296 -1.7940 H 1 UNL1111111111 0.1461 56 H 5.4051 2.0209 -0.5254 H 1 UNL1111111111 0.1561 57 H 4.6424 1.8392 1.1032 H 1 UNL1111111111 0.1558 58 H 3.7880 -1.7444 -0.6389 H 1 UNL1111111111 0.2057 59 H -7.0364 -0.8213 0.6882 H 1 UNL1111111111 0.3137 @BOND 1 1 5 1 2 1 48 1 3 2 25 1 4 2 27 1 5 3 24 1 6 3 59 1 7 4 27 2 8 5 6 1 9 5 7 1 10 5 12 1 11 6 9 1 12 6 11 1 13 6 17 1 14 7 8 1 15 7 15 1 16 7 28 1 17 8 10 1 18 8 13 1 19 8 29 1 20 9 14 1 21 9 20 1 22 9 30 1 23 10 16 1 24 10 19 1 25 10 21 1 26 11 13 1 27 11 31 1 28 11 32 1 29 12 14 1 30 12 33 1 31 12 34 1 32 13 35 1 33 13 36 1 34 14 37 1 35 14 38 1 36 15 18 1 37 15 39 1 38 15 40 1 39 16 18 1 40 16 23 2 41 17 41 1 42 17 42 1 43 17 43 1 44 18 44 1 45 18 45 1 46 19 22 1 47 19 46 1 48 19 47 1 49 20 25 1 50 20 26 2 51 21 49 1 52 21 50 1 53 21 51 1 54 22 24 1 55 22 52 1 56 22 53 1 57 23 24 1 58 23 54 1 59 24 55 1 60 25 56 1 61 25 57 1 62 26 27 1 63 26 58 1