@MOLECULE (5e,8e,10e,12s,14e,17e)-12-hydroxy-5,8,10,14,17-icosapentaenoic acid 53 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.7236 0.4627 -0.2632 O.3 1 UNL1111111111 -0.5645 2 O 5.4166 -1.9012 -1.6332 O.3 1 UNL1111111111 -0.5646 3 O 6.1164 -1.6920 0.4698 O.2 1 UNL1111111111 -0.5076 4 C 4.0845 0.6377 -0.0583 C.3 1 UNL1111111111 -0.2461 5 C 3.7648 2.1301 -0.2233 C.3 1 UNL1111111111 -0.2755 6 C -5.4528 -0.0113 -0.6911 C.3 1 UNL1111111111 0.1597 7 C -5.2476 -1.4433 -0.1479 C.3 1 UNL1111111111 -0.3309 8 C 5.3967 0.2810 -0.7666 C.3 1 UNL1111111111 -0.3468 9 C 2.4009 2.4120 0.3219 C.2 1 UNL1111111111 -0.1713 10 C -3.9488 -1.9994 -0.6290 C.2 1 UNL1111111111 -0.1844 11 C 0.0047 3.0396 0.0872 C.3 1 UNL1111111111 -0.2930 12 C -4.4722 0.9560 -0.1012 C.2 1 UNL1111111111 -0.1644 13 C 1.3714 2.7601 -0.4537 C.2 1 UNL1111111111 -0.1556 14 C -1.5889 -2.7241 -0.2623 C.3 1 UNL1111111111 -0.2894 15 C -2.9264 -2.2331 0.1979 C.2 1 UNL1111111111 -0.1253 16 C -3.2139 1.0542 -0.5479 C.2 1 UNL1111111111 -0.1645 17 C -1.0049 2.0930 -0.4788 C.2 1 UNL1111111111 -0.1265 18 C 5.6954 -1.1648 -0.5251 C.2 1 UNL1111111111 0.6457 19 C -2.2416 1.9731 0.0245 C.2 1 UNL1111111111 -0.1803 20 C -0.5756 -1.6739 0.0811 C.2 1 UNL1111111111 -0.1648 21 C 0.1582 -1.7163 1.1958 C.2 1 UNL1111111111 -0.1514 22 C 1.1164 -0.6340 1.5747 C.3 1 UNL1111111111 -0.2677 23 C 0.6297 0.0679 2.8462 C.3 1 UNL1111111111 -0.4270 24 H 3.2543 0.0306 -0.4737 H 1 UNL1111111111 0.1549 25 H 4.1461 0.3794 1.0184 H 1 UNL1111111111 0.1540 26 H 4.5187 2.7476 0.3083 H 1 UNL1111111111 0.1475 27 H 3.8416 2.4208 -1.2893 H 1 UNL1111111111 0.1450 28 H -5.4406 0.0045 -1.8050 H 1 UNL1111111111 0.1215 29 H -5.3038 -1.4183 0.9604 H 1 UNL1111111111 0.1640 30 H -6.0874 -2.0906 -0.4676 H 1 UNL1111111111 0.1465 31 H 5.3233 0.4969 -1.8544 H 1 UNL1111111111 0.1795 32 H 6.2340 0.9007 -0.3803 H 1 UNL1111111111 0.1757 33 H 2.3046 2.2994 1.4006 H 1 UNL1111111111 0.1484 34 H -3.8886 -2.1811 -1.6989 H 1 UNL1111111111 0.1438 35 H -4.8707 1.5654 0.7100 H 1 UNL1111111111 0.1697 36 H -0.2848 4.0876 -0.1630 H 1 UNL1111111111 0.1637 37 H -0.0065 3.0007 1.1977 H 1 UNL1111111111 0.1577 38 H 1.4657 2.8628 -1.5336 H 1 UNL1111111111 0.1458 39 H -1.3528 -3.6944 0.2253 H 1 UNL1111111111 0.1538 40 H -1.5753 -2.9373 -1.3506 H 1 UNL1111111111 0.1489 41 H -2.9929 -2.0479 1.2701 H 1 UNL1111111111 0.1501 42 H -2.8557 0.4254 -1.3666 H 1 UNL1111111111 0.1510 43 H -0.6722 1.5058 -1.3328 H 1 UNL1111111111 0.1466 44 H -2.5732 2.5578 0.8821 H 1 UNL1111111111 0.1523 45 H -0.5136 -0.8503 -0.6263 H 1 UNL1111111111 0.1456 46 H -7.4391 -0.1056 -0.6002 H 1 UNL1111111111 0.3126 47 H 0.0868 -2.5357 1.9082 H 1 UNL1111111111 0.1445 48 H 1.2286 0.1112 0.7588 H 1 UNL1111111111 0.1469 49 H 2.1278 -1.0599 1.7361 H 1 UNL1111111111 0.1431 50 H -0.3657 0.5040 2.6954 H 1 UNL1111111111 0.1485 51 H 1.3073 0.8759 3.1401 H 1 UNL1111111111 0.1360 52 H 0.5587 -0.6305 3.6874 H 1 UNL1111111111 0.1449 53 H 5.5782 -2.8691 -1.5209 H 1 UNL1111111111 0.3538 @BOND 1 1 6 1 2 1 46 1 3 2 18 1 4 2 53 1 5 3 18 2 6 4 5 1 7 4 8 1 8 4 24 1 9 4 25 1 10 5 9 1 11 5 26 1 12 5 27 1 13 6 7 1 14 6 12 1 15 6 28 1 16 7 10 1 17 7 29 1 18 7 30 1 19 8 18 1 20 8 31 1 21 8 32 1 22 9 13 2 23 9 33 1 24 10 15 2 25 10 34 1 26 11 13 1 27 11 17 1 28 11 36 1 29 11 37 1 30 12 16 2 31 12 35 1 32 13 38 1 33 14 15 1 34 14 20 1 35 14 39 1 36 14 40 1 37 15 41 1 38 16 19 1 39 16 42 1 40 17 19 2 41 17 43 1 42 19 44 1 43 20 21 2 44 20 45 1 45 21 22 1 46 21 47 1 47 22 23 1 48 22 48 1 49 22 49 1 50 23 50 1 51 23 51 1 52 23 52 1