@MOLECULE (5z)-7-{(1s,2r,3r,4r)-3-[(1e,3r)-3-hydroxy-4-(4-iodophenoxy)-1-buten-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-heptenoic acid 58 60 0 0 0 SMALL USER_CHARGES @ATOM 1 I -4.5706 -0.3363 -0.2508 I 1 UNL111111 -0.0320 2 O 4.6137 -1.9258 -1.8662 O.3 1 UNL111111 -0.3987 3 O 2.8565 4.7382 -0.4360 O.3 1 UNL111111 -0.5520 4 O 0.6538 3.0088 -0.2282 O.3 1 UNL111111 -0.3412 5 O 2.3870 -1.5122 3.1125 O.3 1 UNL111111 -0.5618 6 O 1.5130 0.4533 2.5613 O.2 1 UNL111111 -0.5513 7 C 2.5596 -1.1939 -0.9968 C.3 1 UNL111111 -0.1445 8 C 3.5502 -2.3983 -1.0182 C.3 1 UNL111111 0.1045 9 C 4.9168 -0.7068 -1.1598 C.3 1 UNL111111 0.1125 10 C 3.5312 0.0092 -1.2468 C.3 1 UNL111111 -0.1739 11 C 4.2601 -2.4611 0.3611 C.3 1 UNL111111 -0.3217 12 C 5.1955 -1.2244 0.2774 C.3 1 UNL111111 -0.3066 13 C 1.4756 -1.2853 -2.0707 C.3 1 UNL111111 -0.2922 14 C 3.3196 1.1174 -0.2828 C.2 1 UNL111111 -0.1662 15 C 0.6125 -2.4921 -1.8879 C.2 1 UNL111111 -0.1545 16 C 3.1899 2.3833 -0.6869 C.2 1 UNL111111 -0.1976 17 C 2.8642 3.5059 0.2501 C.3 1 UNL111111 0.1417 18 C -0.2178 -2.7161 -0.8648 C.2 1 UNL111111 -0.1675 19 C -0.4369 -1.8037 0.2953 C.3 1 UNL111111 -0.2902 20 C 1.4856 3.2750 0.9062 C.3 1 UNL111111 -0.1044 21 C 0.0476 -2.4794 1.5861 C.3 1 UNL111111 -0.2421 22 C 0.0621 -1.4974 2.7646 C.3 1 UNL111111 -0.3464 23 C -0.4121 2.1909 -0.0988 C.ar 1 UNL111111 0.2795 24 C 1.3361 -0.7179 2.7802 C.2 1 UNL111111 0.6722 25 C -1.0214 1.8139 1.0983 C.ar 1 UNL111111 -0.2816 26 C -0.9273 1.7853 -1.3449 C.ar 1 UNL111111 -0.2492 27 C -2.2057 1.0801 1.0477 C.ar 1 UNL111111 -0.0919 28 C -2.1006 1.0479 -1.3822 C.ar 1 UNL111111 -0.0838 29 C -2.7396 0.7189 -0.1849 C.ar 1 UNL111111 -0.1398 30 H 2.0825 -1.1061 0.0011 H 1 UNL111111 0.1458 31 H 3.1777 -3.3351 -1.4315 H 1 UNL111111 0.1426 32 H 5.7433 -0.2129 -1.6670 H 1 UNL111111 0.1386 33 H 3.4107 0.3712 -2.2958 H 1 UNL111111 0.1563 34 H 3.5604 -2.4185 1.2033 H 1 UNL111111 0.1432 35 H 4.8329 -3.3935 0.4646 H 1 UNL111111 0.1472 36 H 6.2506 -1.5114 0.3909 H 1 UNL111111 0.1443 37 H 4.9791 -0.4738 1.0447 H 1 UNL111111 0.1376 38 H 1.9465 -1.2959 -3.0764 H 1 UNL111111 0.1547 39 H 0.8530 -0.3629 -2.0469 H 1 UNL111111 0.1561 40 H 3.2276 0.8307 0.7643 H 1 UNL111111 0.1539 41 H 0.7008 -3.2259 -2.6915 H 1 UNL111111 0.1436 42 H 3.2879 2.6816 -1.7300 H 1 UNL111111 0.1633 43 H 3.6542 3.6661 1.0217 H 1 UNL111111 0.1558 44 H -0.8128 -3.6300 -0.8259 H 1 UNL111111 0.1419 45 H 0.0636 -0.8234 0.1537 H 1 UNL111111 0.1588 46 H -1.5157 -1.5571 0.3782 H 1 UNL111111 0.1522 47 H 1.5080 2.4368 1.6223 H 1 UNL111111 0.1674 48 H 1.0959 4.1860 1.3917 H 1 UNL111111 0.1454 49 H 1.0550 -2.9186 1.4347 H 1 UNL111111 0.1591 50 H -0.6101 -3.3383 1.8244 H 1 UNL111111 0.1478 51 H 2.1363 4.7616 -1.0996 H 1 UNL111111 0.3261 52 H -0.8026 -0.8000 2.7043 H 1 UNL111111 0.1797 53 H -0.0518 -2.0505 3.7218 H 1 UNL111111 0.1787 54 H -0.5878 2.0897 2.0570 H 1 UNL111111 0.1802 55 H -0.4089 2.0693 -2.2594 H 1 UNL111111 0.1796 56 H 3.2540 -1.0364 3.1406 H 1 UNL111111 0.3546 57 H -2.6990 0.8160 1.9835 H 1 UNL111111 0.1589 58 H -2.5061 0.7408 -2.3487 H 1 UNL111111 0.1672 @BOND 1 38 13 1 2 41 15 1 3 58 28 1 4 33 10 1 5 55 26 1 6 13 39 1 7 13 15 1 8 13 7 1 9 15 18 2 10 2 9 1 11 2 8 1 12 42 16 1 13 32 9 1 14 31 8 1 15 28 26 ar 16 28 29 ar 17 26 23 ar 18 10 9 1 19 10 7 1 20 10 14 1 21 9 12 1 22 51 3 1 23 8 7 1 24 8 11 1 25 7 30 1 26 18 44 1 27 18 19 1 28 16 14 2 29 16 17 1 30 3 17 1 31 14 40 1 32 1 29 1 33 4 23 1 34 4 20 1 35 29 27 ar 36 23 25 ar 37 45 19 1 38 17 20 1 39 17 43 1 40 12 11 1 41 12 36 1 42 12 37 1 43 19 46 1 44 19 21 1 45 11 35 1 46 11 34 1 47 20 48 1 48 20 47 1 49 27 25 ar 50 27 57 1 51 25 54 1 52 49 21 1 53 21 50 1 54 21 22 1 55 6 24 2 56 52 22 1 57 22 24 1 58 22 53 1 59 24 5 1 60 5 56 1