@MOLECULE (5e,9alpha,11alpha,13e,15s)-5-cyano-11,15-dihydroxy-16-methyl-6,9-epoxyprosta-5,13-dien-1-oic acid 61 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3768 0.2500 1.6714 O.2 1 UNL1111111111 -0.3474 2 O -0.8621 -2.5161 -0.5440 O.3 1 UNL1111111111 -0.6210 3 O 4.8222 -2.7243 -0.1213 O.3 1 UNL1111111111 -0.5499 4 O -3.8518 -2.7960 -0.6291 O.3 1 UNL1111111111 -0.5776 5 O -2.8966 -0.8628 -1.1392 O.2 1 UNL1111111111 -0.5537 6 N -3.1383 3.5918 -1.6143 N.1 1 UNL1111111111 -0.2977 7 C -0.0213 0.3429 1.1386 C.3 1 UNL1111111111 -0.1419 8 C -1.0989 -0.3057 2.0416 C.3 1 UNL1111111111 0.1080 9 C 0.6060 -0.7844 0.2952 C.3 1 UNL1111111111 -0.1829 10 C -0.1739 -2.0955 0.6009 C.3 1 UNL1111111111 0.1949 11 C -1.1539 -1.8006 1.7520 C.3 1 UNL1111111111 -0.3887 12 C -0.8019 1.3790 0.3085 C.3 1 UNL1111111111 -0.3393 13 C -2.2354 1.1596 0.6758 C.2 1 UNL1111111111 0.3224 14 C 2.0578 -0.9579 0.6081 C.2 1 UNL1111111111 -0.1512 15 C -3.3413 1.7214 0.1401 C.2 1 UNL1111111111 -0.2343 16 C 2.9551 -1.2582 -0.3344 C.2 1 UNL1111111111 -0.2122 17 C 4.4225 -1.3689 -0.0420 C.3 1 UNL1111111111 0.1359 18 C -4.7279 1.2725 0.4730 C.3 1 UNL1111111111 -0.2236 19 C 5.2607 -0.5292 -1.0363 C.3 1 UNL1111111111 -0.1382 20 C 4.6822 0.8817 -1.2348 C.3 1 UNL1111111111 -0.2839 21 C -5.3739 0.5730 -0.7403 C.3 1 UNL1111111111 -0.2492 22 C -3.2235 2.7422 -0.8282 C.1 1 UNL1111111111 0.1617 23 C 6.7142 -0.4812 -0.5617 C.3 1 UNL1111111111 -0.4476 24 C 4.5098 1.6727 0.0671 C.3 1 UNL1111111111 -0.2704 25 C -5.3011 -0.9549 -0.6660 C.3 1 UNL1111111111 -0.3367 26 C 3.9198 3.0593 -0.2263 C.3 1 UNL1111111111 -0.2512 27 C 3.6937 3.8406 1.0673 C.3 1 UNL1111111111 -0.4399 28 C -3.9061 -1.4595 -0.8385 C.2 1 UNL1111111111 0.6777 29 H 0.7534 0.8547 1.7467 H 1 UNL1111111111 0.1557 30 H -0.9955 -0.0606 3.1153 H 1 UNL1111111111 0.1405 31 H 0.4807 -0.5645 -0.7959 H 1 UNL1111111111 0.1737 32 H 0.4955 -2.9562 0.8135 H 1 UNL1111111111 0.1487 33 H -2.1831 -2.1072 1.4713 H 1 UNL1111111111 0.1796 34 H -0.9081 -2.3954 2.6462 H 1 UNL1111111111 0.1587 35 H -0.4657 2.4136 0.5215 H 1 UNL1111111111 0.1775 36 H -0.6522 1.2451 -0.7854 H 1 UNL1111111111 0.1893 37 H 2.3371 -0.8241 1.6516 H 1 UNL1111111111 0.1472 38 H -1.4808 -1.8172 -0.8736 H 1 UNL1111111111 0.3566 39 H 2.6752 -1.4317 -1.3714 H 1 UNL1111111111 0.1557 40 H 4.6775 -1.1244 1.0150 H 1 UNL1111111111 0.1461 41 H 5.2353 -1.0492 -2.0275 H 1 UNL1111111111 0.1357 42 H -5.3456 2.1444 0.7752 H 1 UNL1111111111 0.1499 43 H -4.7270 0.6028 1.3583 H 1 UNL1111111111 0.1563 44 H 3.7043 0.8091 -1.7517 H 1 UNL1111111111 0.1413 45 H 5.3418 1.4451 -1.9237 H 1 UNL1111111111 0.1403 46 H -6.4328 0.8846 -0.8237 H 1 UNL1111111111 0.1450 47 H -4.8876 0.9232 -1.6767 H 1 UNL1111111111 0.1668 48 H 7.0949 -1.4946 -0.3716 H 1 UNL1111111111 0.1590 49 H 7.3640 -0.0143 -1.3088 H 1 UNL1111111111 0.1429 50 H 6.8230 0.0851 0.3692 H 1 UNL1111111111 0.1439 51 H 5.4809 1.7755 0.5840 H 1 UNL1111111111 0.1365 52 H 3.8489 1.1251 0.7642 H 1 UNL1111111111 0.1380 53 H 4.5807 -3.1176 -0.9816 H 1 UNL1111111111 0.3112 54 H -5.7204 -1.3250 0.2973 H 1 UNL1111111111 0.1843 55 H -5.9559 -1.4090 -1.4491 H 1 UNL1111111111 0.1850 56 H 4.5968 3.6236 -0.8950 H 1 UNL1111111111 0.1334 57 H 2.9654 2.9570 -0.7774 H 1 UNL1111111111 0.1375 58 H 4.6191 3.9352 1.6459 H 1 UNL1111111111 0.1411 59 H 2.9523 3.3495 1.7071 H 1 UNL1111111111 0.1402 60 H 3.3327 4.8544 0.8601 H 1 UNL1111111111 0.1419 61 H -2.9348 -3.1883 -0.6901 H 1 UNL1111111111 0.3786 @BOND 1 1 8 1 2 1 13 1 3 2 10 1 4 2 38 1 5 3 17 1 6 3 53 1 7 4 28 1 8 4 61 1 9 5 28 2 10 6 22 3 11 7 8 1 12 7 9 1 13 7 12 1 14 7 29 1 15 8 11 1 16 8 30 1 17 9 10 1 18 9 14 1 19 9 31 1 20 10 11 1 21 10 32 1 22 11 33 1 23 11 34 1 24 12 13 1 25 12 35 1 26 12 36 1 27 13 15 2 28 14 16 2 29 14 37 1 30 15 18 1 31 15 22 1 32 16 17 1 33 16 39 1 34 17 19 1 35 17 40 1 36 18 21 1 37 18 42 1 38 18 43 1 39 19 20 1 40 19 23 1 41 19 41 1 42 20 24 1 43 20 44 1 44 20 45 1 45 21 25 1 46 21 46 1 47 21 47 1 48 23 48 1 49 23 49 1 50 23 50 1 51 24 26 1 52 24 51 1 53 24 52 1 54 25 28 1 55 25 54 1 56 25 55 1 57 26 27 1 58 26 56 1 59 26 57 1 60 27 58 1 61 27 59 1 62 27 60 1