@MOLECULE (5e)-9,15-dioxoprosta-5,10-dien-1-oic acid 54 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.6937 1.4639 0.2780 O.2 1 UNL1111111111 -0.4417 2 O 0.2537 -3.3978 0.9698 O.2 1 UNL1111111111 -0.4593 3 O 0.7954 0.7111 -2.6313 O.3 1 UNL1111111111 -0.5942 4 O 2.5778 1.9529 -2.1585 O.2 1 UNL1111111111 -0.5034 5 C -2.0032 -0.8871 -0.1985 C.3 1 UNL1111111111 -0.1443 6 C -3.1332 -0.3447 0.7238 C.3 1 UNL1111111111 -0.2242 7 C -2.1249 -2.3971 -0.4270 C.3 1 UNL1111111111 -0.2554 8 C -2.6060 0.1967 2.0566 C.3 1 UNL1111111111 -0.2780 9 C -2.1520 -0.1061 -1.4845 C.2 1 UNL1111111111 -0.0623 10 C -3.7945 0.7662 -0.1007 C.2 1 UNL1111111111 0.4689 11 C -0.8650 -2.9790 -1.0764 C.3 1 UNL1111111111 -0.3896 12 C -3.1302 0.8079 -1.4259 C.2 1 UNL1111111111 -0.3187 13 C 0.2931 -2.8621 -0.1088 C.2 1 UNL1111111111 0.4832 14 C -1.7076 1.3725 1.8432 C.2 1 UNL1111111111 -0.1642 15 C 1.4762 -2.0477 -0.5602 C.3 1 UNL1111111111 -0.3950 16 C 2.3243 -1.6139 0.6382 C.3 1 UNL1111111111 -0.2546 17 C -0.3836 1.3233 2.0097 C.2 1 UNL1111111111 -0.1678 18 C 3.5651 -0.8417 0.1805 C.3 1 UNL1111111111 -0.2797 19 C 0.5023 2.4983 1.7417 C.3 1 UNL1111111111 -0.2744 20 C 4.3287 -0.2820 1.3883 C.3 1 UNL1111111111 -0.2488 21 C 1.4093 2.2234 0.5338 C.3 1 UNL1111111111 -0.2520 22 C 5.4794 0.6148 0.9340 C.3 1 UNL1111111111 -0.4430 23 C 0.5868 2.1019 -0.7532 C.3 1 UNL1111111111 -0.3499 24 C 1.4552 1.6365 -1.8713 C.2 1 UNL1111111111 0.6506 25 H -1.0080 -0.6596 0.2597 H 1 UNL1111111111 0.1683 26 H -3.8921 -1.1344 0.9259 H 1 UNL1111111111 0.1677 27 H -2.3010 -2.9075 0.5454 H 1 UNL1111111111 0.1643 28 H -3.0107 -2.6213 -1.0517 H 1 UNL1111111111 0.1474 29 H -3.4660 0.4954 2.6979 H 1 UNL1111111111 0.1652 30 H -2.0932 -0.6169 2.6103 H 1 UNL1111111111 0.1552 31 H -1.4922 -0.3089 -2.3147 H 1 UNL1111111111 0.1639 32 H -0.6541 -2.4846 -2.0409 H 1 UNL1111111111 0.1579 33 H -1.0269 -4.0509 -1.3158 H 1 UNL1111111111 0.1702 34 H -3.4498 1.5023 -2.1802 H 1 UNL1111111111 0.1766 35 H -2.2202 2.2812 1.5260 H 1 UNL1111111111 0.1536 36 H 2.0860 -2.6511 -1.2641 H 1 UNL1111111111 0.1709 37 H 1.1442 -1.1596 -1.1371 H 1 UNL1111111111 0.1701 38 H 1.7135 -0.9987 1.3269 H 1 UNL1111111111 0.1393 39 H 2.6211 -2.5023 1.2330 H 1 UNL1111111111 0.1587 40 H 4.2283 -1.4994 -0.4119 H 1 UNL1111111111 0.1387 41 H 3.2830 -0.0178 -0.5035 H 1 UNL1111111111 0.1420 42 H 0.1310 0.4222 2.3377 H 1 UNL1111111111 0.1471 43 H -0.0847 3.4233 1.5733 H 1 UNL1111111111 0.1482 44 H 1.1271 2.7101 2.6352 H 1 UNL1111111111 0.1509 45 H 4.7160 -1.1131 2.0078 H 1 UNL1111111111 0.1363 46 H 3.6446 0.2881 2.0448 H 1 UNL1111111111 0.1319 47 H 1.9951 1.2971 0.7075 H 1 UNL1111111111 0.1564 48 H 2.1608 3.0313 0.4282 H 1 UNL1111111111 0.1534 49 H 6.0275 1.0243 1.7891 H 1 UNL1111111111 0.1407 50 H 5.1175 1.4611 0.3376 H 1 UNL1111111111 0.1477 51 H 6.1967 0.0652 0.3144 H 1 UNL1111111111 0.1438 52 H 0.1311 3.0808 -1.0218 H 1 UNL1111111111 0.1840 53 H -0.2788 1.4157 -0.6002 H 1 UNL1111111111 0.1914 54 H 1.3078 0.4068 -3.4176 H 1 UNL1111111111 0.3557 @BOND 1 1 10 2 2 2 13 2 3 3 24 1 4 3 54 1 5 4 24 2 6 5 6 1 7 5 7 1 8 5 9 1 9 5 25 1 10 6 8 1 11 6 10 1 12 6 26 1 13 7 11 1 14 7 27 1 15 7 28 1 16 8 14 1 17 8 29 1 18 8 30 1 19 9 12 2 20 9 31 1 21 10 12 1 22 11 13 1 23 11 32 1 24 11 33 1 25 12 34 1 26 13 15 1 27 14 17 2 28 14 35 1 29 15 16 1 30 15 36 1 31 15 37 1 32 16 18 1 33 16 38 1 34 16 39 1 35 17 19 1 36 17 42 1 37 18 20 1 38 18 40 1 39 18 41 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 47 1 48 21 48 1 49 22 49 1 50 22 50 1 51 22 51 1 52 23 24 1 53 23 52 1 54 23 53 1