@MOLECULE (5r)-3-[(1r)-1-hydroxyoctyl]-5-methyl-2(5h)-furanone 38 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1961 -1.2120 -1.0722 O.3 1 UNL1111111111 -0.3937 2 O -2.2714 2.5694 0.5442 O.3 1 UNL1111111111 -0.5459 3 O -2.8886 0.8837 -1.8043 O.2 1 UNL1111111111 -0.4464 4 C 0.9652 0.6847 0.6714 C.3 1 UNL1111111111 -0.2661 5 C -0.0811 1.6590 0.1275 C.3 1 UNL1111111111 -0.3292 6 C 2.2842 0.8269 -0.0986 C.3 1 UNL1111111111 -0.2672 7 C -1.4367 1.4728 0.8339 C.3 1 UNL1111111111 0.1717 8 C 3.3333 -0.1526 0.4428 C.3 1 UNL1111111111 -0.2778 9 C -2.0791 0.1979 0.4074 C.2 1 UNL1111111111 -0.1914 10 C 4.6495 -0.0193 -0.3332 C.3 1 UNL1111111111 -0.2732 11 C -2.9133 -1.9591 0.1367 C.3 1 UNL1111111111 0.1170 12 C -2.1803 -0.9825 1.0322 C.2 1 UNL1111111111 -0.1531 13 C 5.6976 -1.0063 0.1980 C.3 1 UNL1111111111 -0.2517 14 C -2.7357 0.0809 -0.9287 C.2 1 UNL1111111111 0.5875 15 C -4.2398 -2.4117 0.7141 C.3 1 UNL1111111111 -0.4702 16 C 7.0115 -0.8721 -0.5720 C.3 1 UNL1111111111 -0.4389 17 H 1.1363 0.8694 1.7488 H 1 UNL1111111111 0.1365 18 H 0.5973 -0.3561 0.5938 H 1 UNL1111111111 0.1354 19 H -0.2000 1.5368 -0.9664 H 1 UNL1111111111 0.1572 20 H 0.2517 2.7068 0.2727 H 1 UNL1111111111 0.1638 21 H 2.1165 0.6432 -1.1769 H 1 UNL1111111111 0.1415 22 H 2.6599 1.8644 -0.0220 H 1 UNL1111111111 0.1391 23 H -1.3350 1.5427 1.9444 H 1 UNL1111111111 0.1526 24 H 2.9565 -1.1898 0.3716 H 1 UNL1111111111 0.1350 25 H 3.5083 0.0341 1.5184 H 1 UNL1111111111 0.1348 26 H 4.4754 -0.1980 -1.4107 H 1 UNL1111111111 0.1387 27 H 5.0327 1.0153 -0.2564 H 1 UNL1111111111 0.1379 28 H -2.2738 -2.8040 -0.2002 H 1 UNL1111111111 0.1562 29 H -1.8353 -1.2722 2.0066 H 1 UNL1111111111 0.1716 30 H 5.3173 -2.0419 0.1181 H 1 UNL1111111111 0.1328 31 H 5.8718 -0.8296 1.2761 H 1 UNL1111111111 0.1329 32 H -2.5253 2.5773 -0.4082 H 1 UNL1111111111 0.3365 33 H -4.8668 -1.5589 1.0114 H 1 UNL1111111111 0.1693 34 H -4.8181 -2.9785 -0.0314 H 1 UNL1111111111 0.1721 35 H -4.1041 -3.0531 1.5921 H 1 UNL1111111111 0.1579 36 H 7.4291 0.1367 -0.4793 H 1 UNL1111111111 0.1431 37 H 6.8722 -1.0743 -1.6399 H 1 UNL1111111111 0.1433 38 H 7.7640 -1.5755 -0.1989 H 1 UNL1111111111 0.1405 @BOND 1 1 11 1 2 1 14 1 3 2 7 1 4 2 32 1 5 3 14 2 6 4 5 1 7 4 6 1 8 4 17 1 9 4 18 1 10 5 7 1 11 5 19 1 12 5 20 1 13 6 8 1 14 6 21 1 15 6 22 1 16 7 9 1 17 7 23 1 18 8 10 1 19 8 24 1 20 8 25 1 21 9 12 2 22 9 14 1 23 10 13 1 24 10 26 1 25 10 27 1 26 11 12 1 27 11 15 1 28 11 28 1 29 12 29 1 30 13 16 1 31 13 30 1 32 13 31 1 33 15 33 1 34 15 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 16 38 1