@MOLECULE (13e,15s)-15-hydroxy-9-oxoprost-13-en-1-oic acid 58 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0182 -3.9238 0.6615 O.2 1 UNL1111111111 -0.4555 2 O 3.9372 3.7926 -1.2380 O.3 1 UNL1111111111 -0.5618 3 O -7.3909 -0.5729 0.0463 O.3 1 UNL1111111111 -0.5741 4 O -6.1973 0.5364 -1.4702 O.2 1 UNL1111111111 -0.5080 5 C 2.4295 -1.5913 0.1766 C.3 1 UNL1111111111 -0.2246 6 C 3.6985 -0.9618 -0.4603 C.3 1 UNL1111111111 -0.1190 7 C 4.8731 -1.8516 0.0094 C.3 1 UNL1111111111 -0.2679 8 C 1.1892 -1.3899 -0.6915 C.3 1 UNL1111111111 -0.2668 9 C 4.2791 -3.2528 0.2050 C.3 1 UNL1111111111 -0.3914 10 C 2.7911 -3.0501 0.3826 C.2 1 UNL1111111111 0.4816 11 C -0.0959 -1.6347 0.1111 C.3 1 UNL1111111111 -0.2768 12 C 3.8064 0.4568 -0.0093 C.2 1 UNL1111111111 -0.1611 13 C -1.3188 -1.1786 -0.6922 C.3 1 UNL1111111111 -0.2682 14 C 3.4767 1.4798 -0.8012 C.2 1 UNL1111111111 -0.2270 15 C -2.5990 -1.3146 0.1421 C.3 1 UNL1111111111 -0.2706 16 C 3.3740 2.8884 -0.2958 C.3 1 UNL1111111111 0.1502 17 C 1.8966 3.3153 -0.2076 C.3 1 UNL1111111111 -0.2977 18 C -3.8008 -0.7751 -0.6408 C.3 1 UNL1111111111 -0.2576 19 C 1.1478 2.5028 0.8511 C.3 1 UNL1111111111 -0.2774 20 C -0.3600 2.7736 0.7757 C.3 1 UNL1111111111 -0.2675 21 C -5.0705 -0.8275 0.2134 C.3 1 UNL1111111111 -0.3483 22 C -1.1096 1.9495 1.8310 C.3 1 UNL1111111111 -0.2537 23 C -6.2104 -0.2022 -0.5218 C.2 1 UNL1111111111 0.6467 24 C -2.6185 2.1693 1.7244 C.3 1 UNL1111111111 -0.4414 25 H 2.2529 -1.1418 1.1855 H 1 UNL1111111111 0.1695 26 H 3.6270 -1.0227 -1.5725 H 1 UNL1111111111 0.1504 27 H 5.6925 -1.8493 -0.7271 H 1 UNL1111111111 0.1451 28 H 5.3083 -1.4737 0.9496 H 1 UNL1111111111 0.1446 29 H 1.2157 -2.0593 -1.5723 H 1 UNL1111111111 0.1454 30 H 1.1877 -0.3559 -1.0932 H 1 UNL1111111111 0.1483 31 H 4.4686 -3.9095 -0.6654 H 1 UNL1111111111 0.1736 32 H 4.7147 -3.7811 1.0705 H 1 UNL1111111111 0.1720 33 H -0.1763 -2.7097 0.3723 H 1 UNL1111111111 0.1608 34 H -0.0540 -1.0965 1.0763 H 1 UNL1111111111 0.1337 35 H 4.1048 0.5971 1.0286 H 1 UNL1111111111 0.1482 36 H -1.1886 -0.1256 -1.0098 H 1 UNL1111111111 0.1392 37 H -1.4042 -1.7705 -1.6221 H 1 UNL1111111111 0.1400 38 H 3.2087 1.3581 -1.8490 H 1 UNL1111111111 0.1619 39 H -2.7613 -2.3736 0.4171 H 1 UNL1111111111 0.1411 40 H -2.4870 -0.7647 1.0960 H 1 UNL1111111111 0.1394 41 H 3.9033 3.0462 0.6702 H 1 UNL1111111111 0.1194 42 H 1.4221 3.2038 -1.2014 H 1 UNL1111111111 0.1557 43 H 1.8470 4.3986 0.0178 H 1 UNL1111111111 0.1576 44 H -3.6096 0.2667 -0.9718 H 1 UNL1111111111 0.1558 45 H -3.9432 -1.3547 -1.5738 H 1 UNL1111111111 0.1495 46 H 1.3370 1.4199 0.7072 H 1 UNL1111111111 0.1436 47 H 1.5283 2.7469 1.8601 H 1 UNL1111111111 0.1358 48 H -0.5625 3.8509 0.9203 H 1 UNL1111111111 0.1396 49 H -0.7398 2.5267 -0.2339 H 1 UNL1111111111 0.1391 50 H -4.9203 -0.2946 1.1791 H 1 UNL1111111111 0.1799 51 H -5.3160 -1.8743 0.4972 H 1 UNL1111111111 0.1830 52 H 4.8329 3.5072 -1.4967 H 1 UNL1111111111 0.3146 53 H -0.7580 2.2211 2.8435 H 1 UNL1111111111 0.1322 54 H -0.8760 0.8745 1.7052 H 1 UNL1111111111 0.1346 55 H -2.8791 3.2271 1.8434 H 1 UNL1111111111 0.1448 56 H -3.0012 1.8459 0.7488 H 1 UNL1111111111 0.1470 57 H -3.1579 1.6096 2.4955 H 1 UNL1111111111 0.1369 58 H -8.1845 -0.1818 -0.3917 H 1 UNL1111111111 0.3555 @BOND 1 1 10 2 2 2 16 1 3 2 52 1 4 3 23 1 5 3 58 1 6 4 23 2 7 5 6 1 8 5 8 1 9 5 10 1 10 5 25 1 11 6 7 1 12 6 12 1 13 6 26 1 14 7 9 1 15 7 27 1 16 7 28 1 17 8 11 1 18 8 29 1 19 8 30 1 20 9 10 1 21 9 31 1 22 9 32 1 23 11 13 1 24 11 33 1 25 11 34 1 26 12 14 2 27 12 35 1 28 13 15 1 29 13 36 1 30 13 37 1 31 14 16 1 32 14 38 1 33 15 18 1 34 15 39 1 35 15 40 1 36 16 17 1 37 16 41 1 38 17 19 1 39 17 42 1 40 17 43 1 41 18 21 1 42 18 44 1 43 18 45 1 44 19 20 1 45 19 46 1 46 19 47 1 47 20 22 1 48 20 48 1 49 20 49 1 50 21 23 1 51 21 50 1 52 21 51 1 53 22 24 1 54 22 53 1 55 22 54 1 56 24 55 1 57 24 56 1 58 24 57 1