@MOLECULE 10-hydroxy-10-(3-pentyl-2-oxiranyl)-8-decenoic acid 51 51 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.5827 1.8272 0.6328 O.3 1 UNL1111111111111 -0.3501 2 O 3.4405 -1.4194 -0.6333 O.3 1 UNL1111111111111 -0.5515 3 O -9.3909 1.2134 -0.3962 O.3 1 UNL1111111111111 -0.5751 4 O -8.8241 -0.9385 -0.3308 O.2 1 UNL1111111111111 -0.5058 5 C 3.7582 1.7228 -0.1771 C.3 1 UNL1111111111111 0.0094 6 C 2.5917 0.8088 -0.3711 C.3 1 UNL1111111111111 -0.0577 7 C 5.0144 1.3007 0.5389 C.3 1 UNL1111111111111 -0.3067 8 C 2.5848 -0.6161 0.1642 C.3 1 UNL1111111111111 0.1344 9 C 6.0756 0.8587 -0.4758 C.3 1 UNL1111111111111 -0.2719 10 C 7.2487 0.1703 0.2307 C.3 1 UNL1111111111111 -0.2719 11 C 1.2262 -1.2337 0.0262 C.2 1 UNL1111111111111 -0.2085 12 C 8.3042 -0.2829 -0.7869 C.3 1 UNL1111111111111 -0.2498 13 C 0.1866 -0.8219 0.7550 C.2 1 UNL1111111111111 -0.1420 14 C -1.1823 -1.4066 0.6373 C.3 1 UNL1111111111111 -0.2784 15 C -2.2180 -0.2898 0.4299 C.3 1 UNL1111111111111 -0.2649 16 C -3.6318 -0.8731 0.3219 C.3 1 UNL1111111111111 -0.2723 17 C 9.4715 -0.9774 -0.0864 C.3 1 UNL1111111111111 -0.4404 18 C -4.6614 0.2500 0.1403 C.3 1 UNL1111111111111 -0.2711 19 C -6.0723 -0.3318 0.0071 C.3 1 UNL1111111111111 -0.2574 20 C -7.1031 0.7873 -0.1629 C.3 1 UNL1111111111111 -0.3481 21 C -8.4740 0.2107 -0.2989 C.2 1 UNL1111111111111 0.6468 22 H 3.8898 2.5627 -0.8705 H 1 UNL1111111111111 0.1524 23 H 1.9044 0.9843 -1.2052 H 1 UNL1111111111111 0.1642 24 H 4.8093 0.4973 1.2736 H 1 UNL1111111111111 0.1552 25 H 5.3954 2.1457 1.1507 H 1 UNL1111111111111 0.1603 26 H 2.9481 -0.6580 1.2199 H 1 UNL1111111111111 0.1383 27 H 5.6347 0.1789 -1.2317 H 1 UNL1111111111111 0.1372 28 H 6.4391 1.7338 -1.0488 H 1 UNL1111111111111 0.1445 29 H 7.7059 0.8577 0.9672 H 1 UNL1111111111111 0.1412 30 H 6.8912 -0.6996 0.8132 H 1 UNL1111111111111 0.1386 31 H 1.1693 -2.0357 -0.7097 H 1 UNL1111111111111 0.1739 32 H 4.3570 -1.0716 -0.6116 H 1 UNL1111111111111 0.3179 33 H 7.8492 -0.9669 -1.5284 H 1 UNL1111111111111 0.1356 34 H 8.6731 0.5863 -1.3637 H 1 UNL1111111111111 0.1344 35 H 0.2814 -0.0169 1.4852 H 1 UNL1111111111111 0.1515 36 H -1.2450 -2.1381 -0.1920 H 1 UNL1111111111111 0.1469 37 H -1.4206 -1.9806 1.5578 H 1 UNL1111111111111 0.1506 38 H -2.1677 0.4344 1.2648 H 1 UNL1111111111111 0.1390 39 H -1.9704 0.2842 -0.4831 H 1 UNL1111111111111 0.1410 40 H -3.6870 -1.5810 -0.5265 H 1 UNL1111111111111 0.1396 41 H -3.8703 -1.4645 1.2258 H 1 UNL1111111111111 0.1388 42 H -4.6139 0.9466 0.9986 H 1 UNL1111111111111 0.1384 43 H -4.4096 0.8513 -0.7536 H 1 UNL1111111111111 0.1383 44 H 9.9650 -0.3114 0.6302 H 1 UNL1111111111111 0.1424 45 H 10.2301 -1.3032 -0.8070 H 1 UNL1111111111111 0.1419 46 H 9.1392 -1.8653 0.4635 H 1 UNL1111111111111 0.1445 47 H -6.1228 -1.0304 -0.8524 H 1 UNL1111111111111 0.1542 48 H -6.3211 -0.9478 0.8946 H 1 UNL1111111111111 0.1529 49 H -6.8679 1.4124 -1.0524 H 1 UNL1111111111111 0.1815 50 H -7.0719 1.4912 0.6978 H 1 UNL1111111111111 0.1817 51 H -10.3205 0.8949 -0.4916 H 1 UNL1111111111111 0.3559 @BOND 1 1 5 1 2 1 6 1 3 2 8 1 4 2 32 1 5 3 21 1 6 3 51 1 7 4 21 2 8 5 6 1 9 5 7 1 10 5 22 1 11 6 8 1 12 6 23 1 13 7 9 1 14 7 24 1 15 7 25 1 16 8 11 1 17 8 26 1 18 9 10 1 19 9 27 1 20 9 28 1 21 10 12 1 22 10 29 1 23 10 30 1 24 11 13 2 25 11 31 1 26 12 17 1 27 12 33 1 28 12 34 1 29 13 14 1 30 13 35 1 31 14 15 1 32 14 36 1 33 14 37 1 34 15 16 1 35 15 38 1 36 15 39 1 37 16 18 1 38 16 40 1 39 16 41 1 40 17 44 1 41 17 45 1 42 17 46 1 43 18 19 1 44 18 42 1 45 18 43 1 46 19 20 1 47 19 47 1 48 19 48 1 49 20 21 1 50 20 49 1 51 20 50 1