@MOLECULE 10,11,12-trihydroxy-5,8,14-icosatrienoic acid 59 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0012 -1.4163 1.4198 O.3 1 UNL1111111111 -0.5634 2 O 2.3485 -3.1444 -1.4419 O.3 1 UNL1111111111 -0.5322 3 O 4.5007 -3.2010 0.4830 O.3 1 UNL1111111111 -0.5426 4 O -1.1273 1.6734 1.9146 O.3 1 UNL1111111111 -0.5584 5 O -1.8400 2.5360 -0.0142 O.2 1 UNL1111111111 -0.5257 6 C 1.1002 -1.7491 0.0535 C.3 1 UNL1111111111 0.1132 7 C 2.2652 -2.7627 -0.0947 C.3 1 UNL1111111111 0.0795 8 C -0.2033 -2.3522 -0.4785 C.3 1 UNL1111111111 -0.3369 9 C 3.5540 -2.1419 0.4849 C.3 1 UNL1111111111 0.0912 10 C -4.8453 -1.2025 -0.1635 C.3 1 UNL1111111111 -0.2621 11 C -3.5406 -0.6150 0.3934 C.3 1 UNL1111111111 -0.2905 12 C -5.9793 -0.1749 -0.0699 C.3 1 UNL1111111111 -0.2715 13 C -1.3096 -1.3577 -0.3858 C.2 1 UNL1111111111 -0.1550 14 C -2.4384 -1.6123 0.2785 C.2 1 UNL1111111111 -0.1702 15 C 4.0941 -0.9924 -0.3062 C.2 1 UNL1111111111 -0.2721 16 C -7.2909 -0.7572 -0.6138 C.3 1 UNL1111111111 -0.2500 17 C 4.3442 0.1870 0.2686 C.2 1 UNL1111111111 -0.0882 18 C 4.9088 1.3650 -0.4590 C.3 1 UNL1111111111 -0.2985 19 C -8.4081 0.2794 -0.5449 C.3 1 UNL1111111111 -0.4399 20 C 2.1582 4.0704 -0.7435 C.3 1 UNL1111111111 -0.2875 21 C 0.6906 3.6461 -0.6002 C.3 1 UNL1111111111 -0.2427 22 C 4.0405 2.5545 -0.1869 C.2 1 UNL1111111111 -0.1702 23 C 3.0363 2.8906 -0.9996 C.2 1 UNL1111111111 -0.1456 24 C 0.4999 2.7488 0.6218 C.3 1 UNL1111111111 -0.3479 25 C -0.9308 2.3464 0.7507 C.2 1 UNL1111111111 0.6524 26 H 1.3423 -0.7775 -0.4304 H 1 UNL1111111111 0.1419 27 H 2.0519 -3.7334 0.4101 H 1 UNL1111111111 0.1627 28 H -0.4413 -3.2880 0.0662 H 1 UNL1111111111 0.1515 29 H -0.0600 -2.6713 -1.5366 H 1 UNL1111111111 0.1811 30 H 3.3677 -1.8654 1.5559 H 1 UNL1111111111 0.1481 31 H -5.1164 -2.1210 0.3872 H 1 UNL1111111111 0.1354 32 H -4.6956 -1.5106 -1.2151 H 1 UNL1111111111 0.1414 33 H -3.2917 0.3286 -0.1430 H 1 UNL1111111111 0.1603 34 H -3.6751 -0.3281 1.4543 H 1 UNL1111111111 0.1365 35 H -6.1124 0.1426 0.9873 H 1 UNL1111111111 0.1357 36 H -5.7065 0.7386 -0.6347 H 1 UNL1111111111 0.1423 37 H -1.1365 -0.4138 -0.8906 H 1 UNL1111111111 0.1497 38 H -2.6257 -2.5636 0.7801 H 1 UNL1111111111 0.1423 39 H 4.3074 -1.2051 -1.3476 H 1 UNL1111111111 0.1539 40 H -7.5730 -1.6570 -0.0394 H 1 UNL1111111111 0.1317 41 H -7.1476 -1.0917 -1.6590 H 1 UNL1111111111 0.1344 42 H 0.3553 -1.9837 1.8803 H 1 UNL1111111111 0.3252 43 H 2.8175 -2.4808 -1.9817 H 1 UNL1111111111 0.3121 44 H 4.1283 0.3723 1.3243 H 1 UNL1111111111 0.1537 45 H 5.3963 -2.8535 0.6664 H 1 UNL1111111111 0.3125 46 H 5.9508 1.5603 -0.1214 H 1 UNL1111111111 0.1588 47 H 4.9968 1.1781 -1.5486 H 1 UNL1111111111 0.1545 48 H -8.1606 1.1760 -1.1323 H 1 UNL1111111111 0.1443 49 H -8.5966 0.6026 0.4856 H 1 UNL1111111111 0.1414 50 H -9.3520 -0.1202 -0.9407 H 1 UNL1111111111 0.1389 51 H 2.4786 4.6310 0.1571 H 1 UNL1111111111 0.1455 52 H 2.2544 4.7884 -1.5854 H 1 UNL1111111111 0.1503 53 H 0.0484 4.5466 -0.5188 H 1 UNL1111111111 0.1500 54 H 0.3485 3.1244 -1.5169 H 1 UNL1111111111 0.1558 55 H 4.2743 3.1113 0.7173 H 1 UNL1111111111 0.1453 56 H 2.8003 2.3206 -1.8970 H 1 UNL1111111111 0.1481 57 H 0.8507 3.2442 1.5506 H 1 UNL1111111111 0.1811 58 H 1.1309 1.8292 0.5385 H 1 UNL1111111111 0.1953 59 H -2.0292 1.2802 2.0033 H 1 UNL1111111111 0.3529 @BOND 1 1 6 1 2 1 42 1 3 2 7 1 4 2 43 1 5 3 9 1 6 3 45 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 7 9 1 14 7 27 1 15 8 13 1 16 8 28 1 17 8 29 1 18 9 15 1 19 9 30 1 20 10 11 1 21 10 12 1 22 10 31 1 23 10 32 1 24 11 14 1 25 11 33 1 26 11 34 1 27 12 16 1 28 12 35 1 29 12 36 1 30 13 14 2 31 13 37 1 32 14 38 1 33 15 17 2 34 15 39 1 35 16 19 1 36 16 40 1 37 16 41 1 38 17 18 1 39 17 44 1 40 18 22 1 41 18 46 1 42 18 47 1 43 19 48 1 44 19 49 1 45 19 50 1 46 20 21 1 47 20 23 1 48 20 51 1 49 20 52 1 50 21 24 1 51 21 53 1 52 21 54 1 53 22 23 2 54 22 55 1 55 23 56 1 56 24 25 1 57 24 57 1 58 24 58 1