@MOLECULE methyl 4-(((3ar,4r,5r,6as)-3,3a,4,5,6,6a-hexahydro-5-hydroxy-4-((e)-(3s)-3-hydroxy-1-octenyl)cyclopenta[b]pyrrol-2-yl)thio)butyrate 59 60 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.1312 3.0437 0.2615 S.3 1 UNL1111111111 0.0157 2 O -2.6568 -2.6831 -1.7514 O.3 1 UNL1111111111 -0.5519 3 O 2.5979 -3.8138 -0.9648 O.3 1 UNL1111111111 -0.5565 4 O 3.0039 2.0432 -1.5906 O.3 1 UNL1111111111 -0.4193 5 O 1.7023 0.2307 -1.8407 O.2 1 UNL1111111111 -0.5202 6 N -3.6138 0.7982 0.5318 N.2 1 UNL1111111111 -0.3653 7 C -2.0588 -0.8973 1.3131 C.3 1 UNL1111111111 -0.1508 8 C -3.5785 -0.5993 1.0097 C.3 1 UNL1111111111 0.0163 9 C -1.5731 -1.7074 0.0955 C.3 1 UNL1111111111 -0.1558 10 C -2.8153 -2.5055 -0.3595 C.3 1 UNL1111111111 0.1635 11 C -4.0275 -1.5924 -0.0714 C.3 1 UNL1111111111 -0.3601 12 C -1.4115 0.5011 1.3795 C.3 1 UNL1111111111 -0.3348 13 C -2.4733 1.3617 0.7243 C.2 1 UNL1111111111 0.1034 14 C -0.3840 -2.5380 0.4345 C.2 1 UNL1111111111 -0.1748 15 C 0.7323 -2.4645 -0.2941 C.2 1 UNL1111111111 -0.1876 16 C 2.0258 -3.1028 0.1151 C.3 1 UNL1111111111 0.1586 17 C -1.7738 2.8389 -1.5324 C.3 1 UNL1111111111 -0.3067 18 C 3.0120 -1.9975 0.5542 C.3 1 UNL1111111111 -0.3336 19 C 2.5182 -1.2537 1.8000 C.3 1 UNL1111111111 -0.2669 20 C -0.6240 1.8877 -1.8367 C.3 1 UNL1111111111 -0.2530 21 C 2.9465 0.2194 1.7655 C.3 1 UNL1111111111 -0.2726 22 C 0.7177 2.3933 -1.3007 C.3 1 UNL1111111111 -0.3492 23 C 2.2862 1.0091 2.9029 C.3 1 UNL1111111111 -0.2484 24 C 1.8019 1.4088 -1.6131 C.2 1 UNL1111111111 0.6093 25 C 2.5974 2.5005 2.7796 C.3 1 UNL1111111111 -0.4399 26 C 4.1503 1.2345 -1.8307 C.3 1 UNL1111111111 -0.1698 27 H -1.9330 -1.4575 2.2536 H 1 UNL1111111111 0.1478 28 H -4.2123 -0.6718 1.9207 H 1 UNL1111111111 0.1504 29 H -1.3225 -1.0084 -0.7495 H 1 UNL1111111111 0.1735 30 H -2.8940 -3.4959 0.1262 H 1 UNL1111111111 0.1183 31 H -4.3229 -1.0537 -0.9955 H 1 UNL1111111111 0.1829 32 H -4.9129 -2.1618 0.2426 H 1 UNL1111111111 0.1469 33 H -1.2196 0.8209 2.4192 H 1 UNL1111111111 0.1650 34 H -0.4336 0.5346 0.8675 H 1 UNL1111111111 0.1753 35 H -0.4706 -3.1597 1.3213 H 1 UNL1111111111 0.1451 36 H -3.3644 -3.2469 -2.1148 H 1 UNL1111111111 0.3134 37 H 0.7880 -1.8778 -1.2153 H 1 UNL1111111111 0.1733 38 H 1.9151 -3.8961 0.8861 H 1 UNL1111111111 0.1419 39 H -1.5649 3.8576 -1.9136 H 1 UNL1111111111 0.1657 40 H -2.6963 2.4962 -2.0431 H 1 UNL1111111111 0.1698 41 H 3.1509 -1.2936 -0.2907 H 1 UNL1111111111 0.1532 42 H 4.0042 -2.4485 0.7344 H 1 UNL1111111111 0.1488 43 H 2.8992 -1.7420 2.7145 H 1 UNL1111111111 0.1331 44 H 1.4131 -1.3102 1.8697 H 1 UNL1111111111 0.1465 45 H -0.8321 0.8668 -1.4460 H 1 UNL1111111111 0.1646 46 H -0.5535 1.7417 -2.9380 H 1 UNL1111111111 0.1593 47 H 2.6271 -3.2578 -1.7689 H 1 UNL1111111111 0.3173 48 H 4.0461 0.2992 1.8340 H 1 UNL1111111111 0.1328 49 H 2.6689 0.6697 0.7927 H 1 UNL1111111111 0.1373 50 H 0.6837 2.5456 -0.1971 H 1 UNL1111111111 0.1901 51 H 0.9603 3.3943 -1.7174 H 1 UNL1111111111 0.1807 52 H 1.1908 0.8515 2.8890 H 1 UNL1111111111 0.1319 53 H 2.6339 0.6270 3.8804 H 1 UNL1111111111 0.1324 54 H 3.6759 2.6890 2.8156 H 1 UNL1111111111 0.1398 55 H 2.2240 2.9134 1.8352 H 1 UNL1111111111 0.1431 56 H 2.1360 3.0719 3.5925 H 1 UNL1111111111 0.1413 57 H 4.3014 0.5491 -0.9896 H 1 UNL1111111111 0.1373 58 H 4.0421 0.6777 -2.7680 H 1 UNL1111111111 0.1448 59 H 4.9619 1.9685 -1.8956 H 1 UNL1111111111 0.1467 @BOND 1 1 13 1 2 1 17 1 3 2 10 1 4 2 36 1 5 3 16 1 6 3 47 1 7 4 24 1 8 4 26 1 9 5 24 2 10 6 8 1 11 6 13 2 12 7 8 1 13 7 9 1 14 7 12 1 15 7 27 1 16 8 11 1 17 8 28 1 18 9 10 1 19 9 14 1 20 9 29 1 21 10 11 1 22 10 30 1 23 11 31 1 24 11 32 1 25 12 13 1 26 12 33 1 27 12 34 1 28 14 15 2 29 14 35 1 30 15 16 1 31 15 37 1 32 16 18 1 33 16 38 1 34 17 20 1 35 17 39 1 36 17 40 1 37 18 19 1 38 18 41 1 39 18 42 1 40 19 21 1 41 19 43 1 42 19 44 1 43 20 22 1 44 20 45 1 45 20 46 1 46 21 23 1 47 21 48 1 48 21 49 1 49 22 24 1 50 22 50 1 51 22 51 1 52 23 25 1 53 23 52 1 54 23 53 1 55 25 54 1 56 25 55 1 57 25 56 1 58 26 57 1 59 26 58 1 60 26 59 1