@MOLECULE methyl (5e,7e,12alpha,14z)-12-acetoxy-9-oxoprosta-5,7,10,14-tetraen-1-oate 60 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7771 1.4166 0.0145 O.3 1 UNL1111111111 -0.4459 2 O 4.0341 -1.5804 2.4081 O.2 1 UNL1111111111 -0.4283 3 O 2.3676 2.2591 -1.9860 O.2 1 UNL1111111111 -0.5320 4 O -2.8717 1.3561 -0.9598 O.3 1 UNL1111111111 -0.4156 5 O -1.7110 3.1918 -0.3885 O.2 1 UNL1111111111 -0.5277 6 C 2.3681 0.1464 -0.2531 C.3 1 UNL1111111111 0.2829 7 C 1.6253 -0.5363 -1.4063 C.3 1 UNL1111111111 -0.3296 8 C 2.2992 -0.5755 1.0793 C.2 1 UNL1111111111 -0.2200 9 C 3.8656 0.2775 -0.5239 C.2 1 UNL1111111111 -0.1184 10 C 3.6970 -0.9395 1.4496 C.2 1 UNL1111111111 0.4663 11 C 1.9100 -1.9990 -1.4689 C.2 1 UNL1111111111 -0.1575 12 C 4.5911 -0.3480 0.4113 C.2 1 UNL1111111111 -0.2765 13 C -0.4377 -2.6748 -2.0597 C.3 1 UNL1111111111 -0.2746 14 C -1.2698 -2.9190 -0.7901 C.3 1 UNL1111111111 -0.2678 15 C 1.2324 -0.8043 1.8542 C.2 1 UNL1111111111 -0.0192 16 C 1.0047 -2.9360 -1.7656 C.2 1 UNL1111111111 -0.1557 17 C -2.7081 -2.4249 -0.9763 C.3 1 UNL1111111111 -0.2788 18 C -3.5748 -2.8135 0.2289 C.3 1 UNL1111111111 -0.2521 19 C -0.1099 -0.3709 1.5158 C.2 1 UNL1111111111 -0.2061 20 C 1.8390 2.4077 -0.9143 C.2 1 UNL1111111111 0.6470 21 C -2.4880 0.0873 2.0095 C.3 1 UNL1111111111 -0.3048 22 C -1.1325 -0.4193 2.3817 C.2 1 UNL1111111111 -0.1009 23 C -4.9491 -2.1494 0.1468 C.3 1 UNL1111111111 -0.4417 24 C -2.5636 1.6089 2.2278 C.3 1 UNL1111111111 -0.2393 25 C 1.1690 3.6198 -0.3799 C.3 1 UNL1111111111 -0.5115 26 C -3.3832 2.2938 1.1266 C.3 1 UNL1111111111 -0.3540 27 C -2.5529 2.3741 -0.1202 C.2 1 UNL1111111111 0.6213 28 C -2.1276 1.2815 -2.1721 C.3 1 UNL1111111111 -0.1729 29 H 1.9154 -0.0580 -2.3722 H 1 UNL1111111111 0.1846 30 H 0.5377 -0.3382 -1.2989 H 1 UNL1111111111 0.1611 31 H 4.2033 0.8208 -1.3923 H 1 UNL1111111111 0.1814 32 H 2.9462 -2.2692 -1.2590 H 1 UNL1111111111 0.1502 33 H 5.6585 -0.4464 0.4861 H 1 UNL1111111111 0.1783 34 H -0.7913 -3.3348 -2.8769 H 1 UNL1111111111 0.1409 35 H -0.6002 -1.6447 -2.4313 H 1 UNL1111111111 0.1391 36 H -0.8012 -2.4033 0.0722 H 1 UNL1111111111 0.1491 37 H -1.2602 -3.9945 -0.5354 H 1 UNL1111111111 0.1386 38 H 1.3578 -1.3325 2.8099 H 1 UNL1111111111 0.1664 39 H 1.2833 -3.9897 -1.7924 H 1 UNL1111111111 0.1434 40 H -2.7163 -1.3255 -1.1091 H 1 UNL1111111111 0.1397 41 H -3.1432 -2.8447 -1.9016 H 1 UNL1111111111 0.1365 42 H -3.6864 -3.9133 0.2743 H 1 UNL1111111111 0.1350 43 H -3.0692 -2.5255 1.1703 H 1 UNL1111111111 0.1348 44 H -0.2474 0.0367 0.5094 H 1 UNL1111111111 0.1683 45 H -2.7121 -0.1626 0.9467 H 1 UNL1111111111 0.1727 46 H -3.2809 -0.4226 2.5900 H 1 UNL1111111111 0.1481 47 H -1.0287 -0.8045 3.3939 H 1 UNL1111111111 0.1486 48 H -4.8671 -1.0568 0.1329 H 1 UNL1111111111 0.1416 49 H -5.4823 -2.4475 -0.7630 H 1 UNL1111111111 0.1435 50 H -5.5766 -2.4246 1.0010 H 1 UNL1111111111 0.1384 51 H -3.0091 1.8264 3.2170 H 1 UNL1111111111 0.1456 52 H -1.5434 2.0476 2.2645 H 1 UNL1111111111 0.1625 53 H 1.8896 4.4378 -0.2338 H 1 UNL1111111111 0.1837 54 H 0.6542 3.4415 0.5793 H 1 UNL1111111111 0.1929 55 H 0.3942 3.9793 -1.0830 H 1 UNL1111111111 0.2044 56 H -4.3342 1.7510 0.9482 H 1 UNL1111111111 0.1756 57 H -3.6689 3.3216 1.4376 H 1 UNL1111111111 0.1751 58 H -2.1977 2.2241 -2.7265 H 1 UNL1111111111 0.1475 59 H -1.0809 1.0468 -1.9518 H 1 UNL1111111111 0.1373 60 H -2.6168 0.4636 -2.7144 H 1 UNL1111111111 0.1486 @BOND 1 1 6 1 2 1 20 1 3 2 10 2 4 3 20 2 5 4 27 1 6 4 28 1 7 5 27 2 8 6 7 1 9 6 8 1 10 6 9 1 11 7 11 1 12 7 29 1 13 7 30 1 14 8 10 1 15 8 15 2 16 9 12 2 17 9 31 1 18 10 12 1 19 11 16 2 20 11 32 1 21 12 33 1 22 13 14 1 23 13 16 1 24 13 34 1 25 13 35 1 26 14 17 1 27 14 36 1 28 14 37 1 29 15 19 1 30 15 38 1 31 16 39 1 32 17 18 1 33 17 40 1 34 17 41 1 35 18 23 1 36 18 42 1 37 18 43 1 38 19 22 2 39 19 44 1 40 20 25 1 41 21 22 1 42 21 24 1 43 21 45 1 44 21 46 1 45 22 47 1 46 23 48 1 47 23 49 1 48 23 50 1 49 24 26 1 50 24 51 1 51 24 52 1 52 25 53 1 53 25 54 1 54 25 55 1 55 26 27 1 56 26 56 1 57 26 57 1 58 28 58 1 59 28 59 1 60 28 60 1