@MOLECULE 12-hydroxy-4,8,10-heptadecatrienoic acid 48 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1283 1.6808 -2.7779 O.3 1 UNL1111111111 -0.5620 2 O -0.6157 3.1791 2.2803 O.3 1 UNL1111111111 -0.5503 3 O -1.4904 2.7121 0.2932 O.2 1 UNL1111111111 -0.5496 4 C -2.0293 -1.4510 -0.6809 C.3 1 UNL1111111111 -0.2716 5 C -2.4743 -0.0879 -1.2070 C.3 1 UNL1111111111 -0.3351 6 C -2.7705 -1.7959 0.6178 C.3 1 UNL1111111111 -0.2678 7 C -1.6544 0.3974 -2.4195 C.3 1 UNL1111111111 0.1587 8 C -2.2059 -3.0815 1.2371 C.3 1 UNL1111111111 -0.2494 9 C -0.1852 0.4793 -2.1240 C.2 1 UNL1111111111 -0.1976 10 C -2.8765 -3.3799 2.5780 C.3 1 UNL1111111111 -0.4433 11 C 0.6608 -0.5528 -2.2303 C.2 1 UNL1111111111 -0.1715 12 C 4.1862 -1.2123 -0.8631 C.3 1 UNL1111111111 -0.2761 13 C 4.1609 -1.0167 0.6683 C.3 1 UNL1111111111 -0.2733 14 C 2.0644 -0.4091 -1.8666 C.2 1 UNL1111111111 -0.1761 15 C 2.7902 -1.4137 -1.3599 C.2 1 UNL1111111111 -0.1350 16 C 3.3377 0.1829 1.0152 C.2 1 UNL1111111111 -0.1375 17 C 1.3527 1.3076 1.9961 C.3 1 UNL1111111111 -0.2485 18 C 2.2107 0.1124 1.7288 C.2 1 UNL1111111111 -0.1819 19 C -0.0254 1.0904 1.3550 C.3 1 UNL1111111111 -0.3516 20 C -0.7848 2.3660 1.2087 C.2 1 UNL1111111111 0.6620 21 H -2.2076 -2.2331 -1.4415 H 1 UNL1111111111 0.1375 22 H -0.9376 -1.4533 -0.4940 H 1 UNL1111111111 0.1414 23 H -3.5433 -0.1167 -1.4962 H 1 UNL1111111111 0.1551 24 H -2.4150 0.6741 -0.4037 H 1 UNL1111111111 0.1574 25 H -3.8521 -1.9116 0.4203 H 1 UNL1111111111 0.1383 26 H -2.6860 -0.9624 1.3395 H 1 UNL1111111111 0.1328 27 H -1.8707 -0.2025 -3.3337 H 1 UNL1111111111 0.1465 28 H -1.1120 -2.9895 1.3755 H 1 UNL1111111111 0.1330 29 H -2.3519 -3.9300 0.5437 H 1 UNL1111111111 0.1325 30 H 0.1481 1.4708 -1.8157 H 1 UNL1111111111 0.1589 31 H -2.7110 -2.5717 3.2989 H 1 UNL1111111111 0.1426 32 H -2.4845 -4.3026 3.0217 H 1 UNL1111111111 0.1391 33 H -3.9594 -3.5044 2.4660 H 1 UNL1111111111 0.1428 34 H -2.0567 2.2949 -2.0115 H 1 UNL1111111111 0.3315 35 H 0.3405 -1.5390 -2.5646 H 1 UNL1111111111 0.1521 36 H 4.6676 -0.3389 -1.3457 H 1 UNL1111111111 0.1470 37 H 4.8248 -2.0802 -1.1199 H 1 UNL1111111111 0.1435 38 H 3.7734 -1.9335 1.1543 H 1 UNL1111111111 0.1452 39 H 5.1956 -0.8932 1.0469 H 1 UNL1111111111 0.1446 40 H 2.4872 0.5898 -1.9902 H 1 UNL1111111111 0.1530 41 H 2.3906 -2.4165 -1.2334 H 1 UNL1111111111 0.1425 42 H 3.7116 1.1227 0.6121 H 1 UNL1111111111 0.1440 43 H 1.8160 2.2372 1.6060 H 1 UNL1111111111 0.1527 44 H 1.2463 1.4788 3.0886 H 1 UNL1111111111 0.1615 45 H 1.8369 -0.8241 2.1360 H 1 UNL1111111111 0.1466 46 H 0.0895 0.6120 0.3509 H 1 UNL1111111111 0.1972 47 H -0.6213 0.3655 1.9524 H 1 UNL1111111111 0.1827 48 H -1.1100 4.0345 2.2096 H 1 UNL1111111111 0.3553 @BOND 1 1 7 1 2 1 34 1 3 2 20 1 4 2 48 1 5 3 20 2 6 4 5 1 7 4 6 1 8 4 21 1 9 4 22 1 10 5 7 1 11 5 23 1 12 5 24 1 13 6 8 1 14 6 25 1 15 6 26 1 16 7 9 1 17 7 27 1 18 8 10 1 19 8 28 1 20 8 29 1 21 9 11 2 22 9 30 1 23 10 31 1 24 10 32 1 25 10 33 1 26 11 14 1 27 11 35 1 28 12 13 1 29 12 15 1 30 12 36 1 31 12 37 1 32 13 16 1 33 13 38 1 34 13 39 1 35 14 15 2 36 14 40 1 37 15 41 1 38 16 18 2 39 16 42 1 40 17 18 1 41 17 19 1 42 17 43 1 43 17 44 1 44 18 45 1 45 19 20 1 46 19 46 1 47 19 47 1