@MOLECULE (5z,8z,12e)-11,14,15-trihydroxy-5,8,12-icosatrienoic acid 59 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0148 -0.6489 -2.1412 O.3 1 UNL1111111111 -0.5577 2 O -0.1611 2.9337 -2.6772 O.3 1 UNL1111111111 -0.5516 3 O 2.7856 1.6732 0.9248 O.3 1 UNL1111111111 -0.5554 4 O 4.0146 -2.0337 -0.5105 O.3 1 UNL1111111111 -0.5677 5 O 2.6090 -3.1664 -1.8115 O.2 1 UNL1111111111 -0.5341 6 C -1.6615 0.8423 -1.3981 C.3 1 UNL1111111111 -0.2944 7 C -0.6271 0.5759 -2.4904 C.3 1 UNL1111111111 0.1139 8 C -2.7998 -0.1702 -1.5042 C.3 1 UNL1111111111 -0.2699 9 C -3.8324 0.0723 -0.3993 C.3 1 UNL1111111111 -0.2709 10 C 0.4681 1.6745 -2.5096 C.3 1 UNL1111111111 0.0814 11 C -4.9564 -0.9651 -0.4981 C.3 1 UNL1111111111 -0.2497 12 C 1.2052 1.7274 -1.2107 C.2 1 UNL1111111111 -0.1463 13 C -5.9770 -0.7589 0.6189 C.3 1 UNL1111111111 -0.4413 14 C 1.2919 2.8369 -0.4783 C.2 1 UNL1111111111 -0.1860 15 C 2.1158 2.9136 0.7703 C.3 1 UNL1111111111 0.1612 16 C 1.2589 3.2486 2.0045 C.3 1 UNL1111111111 -0.3440 17 C 0.1809 2.2407 2.2229 C.2 1 UNL1111111111 -0.1454 18 C -0.3144 -3.0606 1.4190 C.3 1 UNL1111111111 -0.2783 19 C 0.5561 -3.1084 0.1601 C.3 1 UNL1111111111 -0.2465 20 C 0.3147 1.2176 3.0715 C.2 1 UNL1111111111 -0.1523 21 C -0.7968 0.2593 3.3596 C.3 1 UNL1111111111 -0.2858 22 C -0.6476 -1.6502 1.7863 C.2 1 UNL1111111111 -0.1413 23 C 1.9250 -2.4798 0.4324 C.3 1 UNL1111111111 -0.3453 24 C -0.4006 -1.1371 2.9941 C.2 1 UNL1111111111 -0.1780 25 C 2.8122 -2.6247 -0.7551 C.2 1 UNL1111111111 0.6601 26 H -2.0398 1.8801 -1.4799 H 1 UNL1111111111 0.1570 27 H -1.1709 0.7789 -0.4037 H 1 UNL1111111111 0.1630 28 H -1.1017 0.4724 -3.4891 H 1 UNL1111111111 0.1089 29 H -2.3942 -1.1997 -1.4314 H 1 UNL1111111111 0.1533 30 H -3.2854 -0.1053 -2.4957 H 1 UNL1111111111 0.1305 31 H -4.2443 1.0955 -0.4779 H 1 UNL1111111111 0.1353 32 H -3.3480 0.0180 0.5944 H 1 UNL1111111111 0.1367 33 H 1.1774 1.5196 -3.3540 H 1 UNL1111111111 0.1215 34 H -4.5329 -1.9870 -0.4416 H 1 UNL1111111111 0.1352 35 H -5.4515 -0.8973 -1.4848 H 1 UNL1111111111 0.1305 36 H 1.6736 0.7851 -0.9104 H 1 UNL1111111111 0.1818 37 H 0.5628 -0.9832 -2.8520 H 1 UNL1111111111 0.3185 38 H -6.7779 -1.5028 0.5721 H 1 UNL1111111111 0.1378 39 H -5.5091 -0.8428 1.6066 H 1 UNL1111111111 0.1440 40 H -6.4415 0.2297 0.5566 H 1 UNL1111111111 0.1403 41 H 0.8051 3.7720 -0.7592 H 1 UNL1111111111 0.1644 42 H 2.9240 3.6777 0.6407 H 1 UNL1111111111 0.1221 43 H -0.5659 3.0071 -3.5576 H 1 UNL1111111111 0.3086 44 H 0.8132 4.2567 1.8760 H 1 UNL1111111111 0.1568 45 H 1.9128 3.3323 2.8938 H 1 UNL1111111111 0.1453 46 H -0.7274 2.4043 1.6436 H 1 UNL1111111111 0.1497 47 H 0.6744 -4.1544 -0.1838 H 1 UNL1111111111 0.1462 48 H 0.0558 -2.5743 -0.6778 H 1 UNL1111111111 0.1704 49 H 0.1912 -3.5874 2.2520 H 1 UNL1111111111 0.1407 50 H -1.2581 -3.6249 1.2481 H 1 UNL1111111111 0.1480 51 H 1.2339 1.0257 3.6214 H 1 UNL1111111111 0.1389 52 H -1.7244 0.5517 2.8218 H 1 UNL1111111111 0.1499 53 H -1.0563 0.3156 4.4397 H 1 UNL1111111111 0.1497 54 H 2.9969 1.5038 1.8662 H 1 UNL1111111111 0.3152 55 H -1.1122 -1.0676 0.9907 H 1 UNL1111111111 0.1556 56 H 1.8092 -1.3989 0.6897 H 1 UNL1111111111 0.1999 57 H 2.4067 -2.9267 1.3284 H 1 UNL1111111111 0.1777 58 H 0.0907 -1.7027 3.7802 H 1 UNL1111111111 0.1412 59 H 4.6378 -2.0663 -1.2744 H 1 UNL1111111111 0.3509 @BOND 1 1 7 1 2 1 37 1 3 2 10 1 4 2 43 1 5 3 15 1 6 3 54 1 7 4 25 1 8 4 59 1 9 5 25 2 10 6 7 1 11 6 8 1 12 6 26 1 13 6 27 1 14 7 10 1 15 7 28 1 16 8 9 1 17 8 29 1 18 8 30 1 19 9 11 1 20 9 31 1 21 9 32 1 22 10 12 1 23 10 33 1 24 11 13 1 25 11 34 1 26 11 35 1 27 12 14 2 28 12 36 1 29 13 38 1 30 13 39 1 31 13 40 1 32 14 15 1 33 14 41 1 34 15 16 1 35 15 42 1 36 16 17 1 37 16 44 1 38 16 45 1 39 17 20 2 40 17 46 1 41 18 19 1 42 18 22 1 43 18 49 1 44 18 50 1 45 19 23 1 46 19 47 1 47 19 48 1 48 20 21 1 49 20 51 1 50 21 24 1 51 21 52 1 52 21 53 1 53 22 24 2 54 22 55 1 55 23 25 1 56 23 56 1 57 23 57 1 58 24 58 1