@MOLECULE (5z,11alpha,13e,15r)-11,15,19-trihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-1-oic acid 64 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3359 0.3652 2.7925 O.3 1 UNL1111111111 -0.5486 2 O 2.4194 -1.2372 3.2341 O.3 1 UNL1111111111 -0.5489 3 O -3.1259 3.7003 -0.3369 O.2 1 UNL1111111111 -0.4464 4 O 2.1996 1.1768 -2.4942 O.3 1 UNL1111111111 -0.5811 5 O -3.6563 -2.0958 0.0984 O.3 1 UNL1111111111 -0.5578 6 O -3.3745 -4.0080 -1.0062 O.2 1 UNL1111111111 -0.5222 7 C -0.9628 1.2565 1.0934 C.3 1 UNL1111111111 -0.1465 8 C -1.0960 2.4787 0.1583 C.3 1 UNL1111111111 -0.2171 9 C -1.8798 1.6022 2.2994 C.3 1 UNL1111111111 0.1663 10 C -3.0348 2.4311 1.7047 C.3 1 UNL1111111111 -0.4676 11 C 3.0272 -1.3775 0.8824 C.3 1 UNL1111111111 0.0530 12 C -2.5159 2.9691 0.3909 C.2 1 UNL1111111111 0.4840 13 C -0.7825 2.1674 -1.3045 C.3 1 UNL1111111111 -0.2847 14 C 0.4464 0.9942 1.5002 C.2 1 UNL1111111111 -0.1436 15 C 2.3354 -0.5463 2.0032 C.3 1 UNL1111111111 0.1237 16 C 2.8838 -0.6773 -0.4848 C.3 1 UNL1111111111 -0.2907 17 C 0.9039 -0.2477 1.6750 C.2 1 UNL1111111111 -0.2078 18 C 2.3860 -2.7714 0.7748 C.3 1 UNL1111111111 -0.4604 19 C 4.5051 -1.5443 1.2603 C.3 1 UNL1111111111 -0.4600 20 C 3.3693 0.7752 -0.5010 C.3 1 UNL1111111111 -0.3036 21 C -1.4936 0.9492 -1.8000 C.2 1 UNL1111111111 -0.1614 22 C 3.5049 1.2820 -1.9437 C.3 1 UNL1111111111 0.1849 23 C -0.8266 -0.0831 -2.3234 C.2 1 UNL1111111111 -0.1702 24 C 3.9681 2.7389 -1.9885 C.3 1 UNL1111111111 -0.5110 25 C -1.4819 -1.3359 -2.8029 C.3 1 UNL1111111111 -0.2783 26 C -0.9456 -2.5490 -2.0239 C.3 1 UNL1111111111 -0.2433 27 C -1.4584 -2.5621 -0.5793 C.3 1 UNL1111111111 -0.3429 28 C -2.8866 -3.0054 -0.5533 C.2 1 UNL1111111111 0.6522 29 H -1.3970 0.3502 0.5907 H 1 UNL1111111111 0.1842 30 H -0.4062 3.2943 0.4956 H 1 UNL1111111111 0.1620 31 H -1.3405 2.1331 3.1075 H 1 UNL1111111111 0.1192 32 H -3.3789 3.2403 2.3659 H 1 UNL1111111111 0.1725 33 H -3.9223 1.7898 1.5247 H 1 UNL1111111111 0.1959 34 H 1.0773 1.8718 1.6245 H 1 UNL1111111111 0.1425 35 H 0.3204 2.0544 -1.4233 H 1 UNL1111111111 0.1706 36 H -1.0645 3.0403 -1.9357 H 1 UNL1111111111 0.1620 37 H 2.9282 0.3716 2.2280 H 1 UNL1111111111 0.1425 38 H 3.4317 -1.2649 -1.2461 H 1 UNL1111111111 0.1411 39 H 1.8207 -0.6983 -0.8080 H 1 UNL1111111111 0.1615 40 H 0.2552 -1.1180 1.5914 H 1 UNL1111111111 0.1554 41 H 1.3270 -2.7134 0.5043 H 1 UNL1111111111 0.1438 42 H 2.4729 -3.3242 1.7167 H 1 UNL1111111111 0.1470 43 H 2.8861 -3.3734 0.0072 H 1 UNL1111111111 0.1477 44 H 5.0262 -0.5836 1.3162 H 1 UNL1111111111 0.1406 45 H 5.0378 -2.1689 0.5375 H 1 UNL1111111111 0.1416 46 H 4.6013 -2.0161 2.2480 H 1 UNL1111111111 0.1610 47 H 4.3412 0.8727 0.0155 H 1 UNL1111111111 0.1438 48 H 2.6516 1.4174 0.0463 H 1 UNL1111111111 0.1546 49 H -2.9169 0.4868 3.5667 H 1 UNL1111111111 0.3159 50 H -2.5763 0.9677 -1.7017 H 1 UNL1111111111 0.1510 51 H 4.1701 0.6253 -2.5477 H 1 UNL1111111111 0.1116 52 H 1.7977 -1.9910 3.2573 H 1 UNL1111111111 0.3121 53 H 0.2620 -0.0735 -2.4170 H 1 UNL1111111111 0.1619 54 H 3.2378 3.3979 -1.5018 H 1 UNL1111111111 0.1625 55 H 4.9270 2.8711 -1.4765 H 1 UNL1111111111 0.1557 56 H 4.0940 3.0926 -3.0167 H 1 UNL1111111111 0.1470 57 H -2.5857 -1.2841 -2.7140 H 1 UNL1111111111 0.1505 58 H -1.2835 -1.4694 -3.8871 H 1 UNL1111111111 0.1473 59 H 2.1495 1.6059 -3.3668 H 1 UNL1111111111 0.3162 60 H -1.2361 -3.4873 -2.5388 H 1 UNL1111111111 0.1542 61 H 0.1625 -2.5346 -2.0251 H 1 UNL1111111111 0.1452 62 H -1.3446 -1.5523 -0.1199 H 1 UNL1111111111 0.1895 63 H -0.8575 -3.2555 0.0463 H 1 UNL1111111111 0.1693 64 H -4.6089 -2.3505 0.1608 H 1 UNL1111111111 0.3506 @BOND 1 1 9 1 2 1 49 1 3 2 15 1 4 2 52 1 5 3 12 2 6 4 22 1 7 4 59 1 8 5 28 1 9 5 64 1 10 6 28 2 11 7 8 1 12 7 9 1 13 7 14 1 14 7 29 1 15 8 12 1 16 8 13 1 17 8 30 1 18 9 10 1 19 9 31 1 20 10 12 1 21 10 32 1 22 10 33 1 23 11 15 1 24 11 16 1 25 11 18 1 26 11 19 1 27 13 21 1 28 13 35 1 29 13 36 1 30 14 17 2 31 14 34 1 32 15 17 1 33 15 37 1 34 16 20 1 35 16 38 1 36 16 39 1 37 17 40 1 38 18 41 1 39 18 42 1 40 18 43 1 41 19 44 1 42 19 45 1 43 19 46 1 44 20 22 1 45 20 47 1 46 20 48 1 47 21 23 2 48 21 50 1 49 22 24 1 50 22 51 1 51 23 25 1 52 23 53 1 53 24 54 1 54 24 55 1 55 24 56 1 56 25 26 1 57 25 57 1 58 25 58 1 59 26 27 1 60 26 60 1 61 26 61 1 62 27 28 1 63 27 62 1 64 27 63 1