@MOLECULE (4r)-4-[(1z,5e,7e,11s)-11-methoxy-8-methyl-1,5,7,13-tetradecatetraen-1-yl]-2-[(1r,2s)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole 61 62 0 0 0 SMALL USER_CHARGES @ATOM 1 S -3.6134 2.6474 0.5735 S.3 1 UNL111111111 -0.0650 2 O 4.1167 -0.9923 -1.5215 O.3 1 UNL111111111 -0.4055 3 N -2.0081 0.7975 -0.3972 N.2 1 UNL111111111 -0.4134 4 C -1.0263 3.0378 -0.5065 C.3 1 UNL111111111 -0.2175 5 C 0.2056 3.1567 0.3971 C.3 1 UNL111111111 -0.0927 6 C 0.3336 2.5516 -0.9783 C.3 1 UNL111111111 -0.3029 7 C -2.0690 2.0579 -0.1925 C.2 1 UNL111111111 0.1936 8 C 0.3360 2.2965 1.6221 C.3 1 UNL111111111 -0.4430 9 C -3.1888 0.0171 -0.0110 C.3 1 UNL111111111 0.0403 10 C -4.2423 0.9226 0.6892 C.3 1 UNL111111111 -0.3623 11 C -3.7857 -0.5898 -1.2509 C.2 1 UNL111111111 -0.1957 12 C -4.0735 -1.8844 -1.4047 C.2 1 UNL111111111 -0.1269 13 C -3.8258 -2.9577 -0.3944 C.3 1 UNL111111111 -0.2734 14 C -2.4484 -3.6117 -0.6368 C.3 1 UNL111111111 -0.2651 15 C 3.7599 -0.9890 0.7803 C.3 1 UNL111111111 -0.2992 16 C 3.2414 -0.4251 -0.5529 C.3 1 UNL111111111 0.1221 17 C 2.6694 -0.9607 1.8598 C.3 1 UNL111111111 -0.2917 18 C 3.3254 1.1102 -0.6227 C.3 1 UNL111111111 -0.3464 19 C 1.6517 -2.0359 1.6141 C.2 1 UNL111111111 0.0628 20 C -1.3549 -2.6409 -0.3335 C.2 1 UNL111111111 -0.1538 21 C 0.4877 -1.7621 1.0034 C.2 1 UNL111111111 -0.2393 22 C -0.5386 -2.7550 0.7224 C.2 1 UNL111111111 -0.1644 23 C 2.0272 -3.4065 2.0695 C.3 1 UNL111111111 -0.4592 24 C 4.7271 1.6016 -0.4730 C.2 1 UNL111111111 -0.0781 25 C 3.5479 -1.0979 -2.8110 C.3 1 UNL111111111 -0.1953 26 C 5.0422 2.7026 0.2089 C.2 1 UNL111111111 -0.3716 27 H -1.4178 3.9634 -0.9536 H 1 UNL111111111 0.1749 28 H 0.5984 4.1704 0.5526 H 1 UNL111111111 0.1528 29 H 0.4886 1.4763 -1.0868 H 1 UNL111111111 0.1806 30 H 0.8463 3.0895 -1.7693 H 1 UNL111111111 0.1562 31 H 1.3727 2.2721 1.9836 H 1 UNL111111111 0.1514 32 H -0.2889 2.6764 2.4426 H 1 UNL111111111 0.1569 33 H 0.0240 1.2568 1.4413 H 1 UNL111111111 0.1644 34 H -2.8262 -0.7777 0.7023 H 1 UNL111111111 0.1760 35 H -4.3718 0.6443 1.7461 H 1 UNL111111111 0.1659 36 H -5.2311 0.8500 0.2076 H 1 UNL111111111 0.1742 37 H -3.9612 0.1273 -2.0552 H 1 UNL111111111 0.1582 38 H -4.5127 -2.2431 -2.3385 H 1 UNL111111111 0.1446 39 H -4.6174 -3.7317 -0.4530 H 1 UNL111111111 0.1419 40 H -3.8754 -2.5706 0.6425 H 1 UNL111111111 0.1471 41 H -2.3641 -4.5275 -0.0203 H 1 UNL111111111 0.1382 42 H -2.3723 -3.9523 -1.6898 H 1 UNL111111111 0.1467 43 H 4.1170 -2.0266 0.6177 H 1 UNL111111111 0.1598 44 H 4.6483 -0.4230 1.1159 H 1 UNL111111111 0.1504 45 H 2.1973 -0.7668 -0.7417 H 1 UNL111111111 0.1324 46 H 2.1960 0.0415 1.8934 H 1 UNL111111111 0.1482 47 H 3.1319 -1.0910 2.8594 H 1 UNL111111111 0.1477 48 H 2.9262 1.4581 -1.5994 H 1 UNL111111111 0.1557 49 H 2.6559 1.5482 0.1446 H 1 UNL111111111 0.1591 50 H -1.2769 -1.8040 -1.0322 H 1 UNL111111111 0.1672 51 H 0.2507 -0.7487 0.6681 H 1 UNL111111111 0.1607 52 H -0.6093 -3.5896 1.4183 H 1 UNL111111111 0.1429 53 H 3.0744 -3.4770 2.3903 H 1 UNL111111111 0.1514 54 H 1.4047 -3.7258 2.9175 H 1 UNL111111111 0.1551 55 H 1.8898 -4.1474 1.2680 H 1 UNL111111111 0.1590 56 H 5.4791 0.9919 -0.9784 H 1 UNL111111111 0.1538 57 H 4.3484 -1.5645 -3.3980 H 1 UNL111111111 0.1394 58 H 3.3056 -0.1122 -3.2192 H 1 UNL111111111 0.1203 59 H 2.6637 -1.7441 -2.7947 H 1 UNL111111111 0.1257 60 H 6.0502 3.0699 0.3088 H 1 UNL111111111 0.1420 61 H 4.3234 3.3220 0.7187 H 1 UNL111111111 0.1428 @BOND 1 39 13 1 2 42 14 1 3 38 12 1 4 41 14 1 5 13 14 1 6 13 12 1 7 13 40 1 8 14 20 1 9 12 11 2 10 20 50 1 11 20 22 2 12 11 37 1 13 11 9 1 14 52 22 1 15 22 21 1 16 55 23 1 17 36 10 1 18 34 9 1 19 9 10 1 20 9 3 1 21 54 23 1 22 59 25 1 23 10 35 1 24 10 1 1 25 23 53 1 26 23 19 1 27 21 19 2 28 21 51 1 29 3 7 2 30 57 25 1 31 19 17 1 32 25 58 1 33 25 2 1 34 45 16 1 35 43 15 1 36 7 1 1 37 7 4 1 38 2 16 1 39 16 15 1 40 16 18 1 41 29 6 1 42 17 15 1 43 17 47 1 44 17 46 1 45 15 44 1 46 33 8 1 47 4 6 1 48 4 27 1 49 4 5 1 50 6 30 1 51 6 5 1 52 48 18 1 53 18 49 1 54 18 24 1 55 8 5 1 56 8 32 1 57 8 31 1 58 5 28 1 59 56 24 1 60 24 26 2 61 26 61 1 62 26 60 1