@MOLECULE 5,12-dihydroxy-20-oxo-6,8,10,14-icosatetraenoic acid 55 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1629 -3.4360 0.6889 O.3 1 UNL1111111111 -0.5679 2 O 4.1177 4.0769 0.3222 O.3 1 UNL1111111111 -0.5646 3 O -7.1993 2.5870 0.1894 O.3 1 UNL1111111111 -0.5741 4 O -5.5276 2.3418 -1.2622 O.2 1 UNL1111111111 -0.5017 5 O 0.9057 -1.6008 -2.1337 O.2 1 UNL1111111111 -0.4546 6 C -4.4855 -1.4100 0.6625 C.3 1 UNL1111111111 -0.3300 7 C 4.0793 -2.3141 0.6371 C.3 1 UNL1111111111 -0.2642 8 C -4.6720 -0.0758 -0.0603 C.3 1 UNL1111111111 -0.2530 9 C 3.0629 -2.0089 -0.4681 C.3 1 UNL1111111111 -0.2513 10 C -3.1878 -2.1004 0.2002 C.3 1 UNL1111111111 0.1544 11 C 5.4133 -1.5965 0.3749 C.3 1 UNL1111111111 -0.2795 12 C -5.9263 0.6414 0.4443 C.3 1 UNL1111111111 -0.3463 13 C 1.7517 -2.7610 -0.2320 C.3 1 UNL1111111111 -0.3940 14 C 5.2640 -0.1165 0.5266 C.2 1 UNL1111111111 -0.1581 15 C 5.3445 2.2171 -0.3685 C.3 1 UNL1111111111 -0.3072 16 C 4.1196 2.6590 0.4535 C.3 1 UNL1111111111 0.1592 17 C 5.4754 0.7354 -0.4802 C.2 1 UNL1111111111 -0.1633 18 C -1.9813 -1.4625 0.8193 C.2 1 UNL1111111111 -0.1861 19 C 2.8474 2.0961 -0.1068 C.2 1 UNL1111111111 -0.1983 20 C -6.1376 1.9063 -0.3229 C.2 1 UNL1111111111 0.6460 21 C -1.2787 -0.5029 0.2045 C.2 1 UNL1111111111 -0.1601 22 C 0.7480 -2.4717 -1.3146 C.2 1 UNL1111111111 0.3575 23 C 2.0047 1.3556 0.6245 C.2 1 UNL1111111111 -0.1647 24 C -0.0997 0.1038 0.8030 C.2 1 UNL1111111111 -0.1747 25 C 0.7938 0.7810 0.0605 C.2 1 UNL1111111111 -0.1256 26 H -4.4551 -1.2620 1.7595 H 1 UNL1111111111 0.1574 27 H -5.3481 -2.0763 0.4768 H 1 UNL1111111111 0.1417 28 H 3.6740 -2.0109 1.6206 H 1 UNL1111111111 0.1356 29 H 4.2542 -3.4045 0.7018 H 1 UNL1111111111 0.1323 30 H -4.7367 -0.2308 -1.1570 H 1 UNL1111111111 0.1563 31 H -3.7809 0.5712 0.0894 H 1 UNL1111111111 0.1632 32 H 3.4767 -2.2677 -1.4609 H 1 UNL1111111111 0.1463 33 H 2.8686 -0.9158 -0.5183 H 1 UNL1111111111 0.1633 34 H -3.1278 -2.1491 -0.9116 H 1 UNL1111111111 0.1257 35 H 6.1828 -1.9663 1.0843 H 1 UNL1111111111 0.1432 36 H 5.7903 -1.8668 -0.6318 H 1 UNL1111111111 0.1454 37 H -5.8466 0.8655 1.5312 H 1 UNL1111111111 0.1834 38 H -6.8248 -0.0068 0.3502 H 1 UNL1111111111 0.1801 39 H 1.3132 -2.4640 0.7454 H 1 UNL1111111111 0.1707 40 H 1.9337 -3.8508 -0.1596 H 1 UNL1111111111 0.1605 41 H 4.9626 0.2122 1.5185 H 1 UNL1111111111 0.1410 42 H 5.2854 2.6896 -1.3729 H 1 UNL1111111111 0.1656 43 H 6.2606 2.6494 0.0907 H 1 UNL1111111111 0.1652 44 H 4.2550 2.4374 1.5360 H 1 UNL1111111111 0.1195 45 H 5.7738 0.3838 -1.4680 H 1 UNL1111111111 0.1476 46 H -1.7236 -1.8544 1.8021 H 1 UNL1111111111 0.1658 47 H 2.6688 2.3286 -1.1561 H 1 UNL1111111111 0.1664 48 H -3.9361 -3.9380 0.3753 H 1 UNL1111111111 0.3143 49 H -1.5488 -0.1420 -0.7925 H 1 UNL1111111111 0.1621 50 H -0.1613 -3.0884 -1.3254 H 1 UNL1111111111 0.1074 51 H 2.2009 1.1358 1.6758 H 1 UNL1111111111 0.1488 52 H 0.0283 -0.0305 1.8767 H 1 UNL1111111111 0.1499 53 H 0.6567 0.9023 -1.0197 H 1 UNL1111111111 0.1683 54 H 3.2526 4.4469 0.5808 H 1 UNL1111111111 0.3179 55 H -7.3909 3.4362 -0.2774 H 1 UNL1111111111 0.3573 @BOND 1 1 10 1 2 1 48 1 3 2 16 1 4 2 54 1 5 3 20 1 6 3 55 1 7 4 20 2 8 5 22 2 9 6 8 1 10 6 10 1 11 6 26 1 12 6 27 1 13 7 9 1 14 7 11 1 15 7 28 1 16 7 29 1 17 8 12 1 18 8 30 1 19 8 31 1 20 9 13 1 21 9 32 1 22 9 33 1 23 10 18 1 24 10 34 1 25 11 14 1 26 11 35 1 27 11 36 1 28 12 20 1 29 12 37 1 30 12 38 1 31 13 22 1 32 13 39 1 33 13 40 1 34 14 17 2 35 14 41 1 36 15 16 1 37 15 17 1 38 15 42 1 39 15 43 1 40 16 19 1 41 16 44 1 42 17 45 1 43 18 21 2 44 18 46 1 45 19 23 2 46 19 47 1 47 21 24 1 48 21 49 1 49 22 50 1 50 23 25 1 51 23 51 1 52 24 25 2 53 24 52 1 54 25 53 1