@MOLECULE (3s,8e)-1,3-dihydroxy-8-decen-5-one 31 30 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3720 -1.3480 0.3943 O.3 1 UNL1111111111 -0.5736 2 O 0.2747 -1.4762 -0.1360 O.2 1 UNL1111111111 -0.4783 3 O -5.7774 0.8517 -0.0272 O.3 1 UNL1111111111 -0.5491 4 C -2.1397 -0.0746 -0.1658 C.3 1 UNL1111111111 0.1959 5 C -0.8509 0.5328 0.4272 C.3 1 UNL1111111111 -0.4702 6 C -3.3699 0.7617 0.2033 C.3 1 UNL1111111111 -0.3644 7 C 0.3544 -0.2822 0.0356 C.2 1 UNL1111111111 0.4963 8 C 1.6524 0.4616 -0.1142 C.3 1 UNL1111111111 -0.3795 9 C -4.6336 0.0826 -0.3357 C.3 1 UNL1111111111 0.0194 10 C 2.8231 -0.5069 -0.3256 C.3 1 UNL1111111111 -0.2539 11 C 4.1019 0.2498 -0.4761 C.2 1 UNL1111111111 -0.1907 12 C 5.1568 0.0536 0.3200 C.2 1 UNL1111111111 -0.1277 13 C 6.4387 0.7954 0.1685 C.3 1 UNL1111111111 -0.4486 14 H -2.0435 -0.1991 -1.2689 H 1 UNL1111111111 0.1170 15 H -0.7506 1.5907 0.1300 H 1 UNL1111111111 0.1680 16 H -0.9310 0.5340 1.5375 H 1 UNL1111111111 0.1929 17 H -3.2765 1.7875 -0.1898 H 1 UNL1111111111 0.1399 18 H -3.4548 0.8538 1.3055 H 1 UNL1111111111 0.1701 19 H 1.5823 1.1688 -0.9665 H 1 UNL1111111111 0.1694 20 H 1.8415 1.0926 0.7788 H 1 UNL1111111111 0.1710 21 H -4.8329 -0.8790 0.1808 H 1 UNL1111111111 0.1639 22 H -4.5899 -0.0866 -1.4247 H 1 UNL1111111111 0.1107 23 H 2.8660 -1.2336 0.5126 H 1 UNL1111111111 0.1567 24 H 2.6411 -1.1336 -1.2267 H 1 UNL1111111111 0.1632 25 H -1.5639 -1.9059 0.2887 H 1 UNL1111111111 0.3491 26 H 4.1179 0.9705 -1.2903 H 1 UNL1111111111 0.1431 27 H -5.7293 1.7331 -0.4398 H 1 UNL1111111111 0.3044 28 H 5.1411 -0.6706 1.1340 H 1 UNL1111111111 0.1439 29 H 7.2720 0.1064 -0.0364 H 1 UNL1111111111 0.1572 30 H 6.6910 1.3438 1.0879 H 1 UNL1111111111 0.1544 31 H 6.4176 1.5276 -0.6492 H 1 UNL1111111111 0.1496 @BOND 1 1 4 1 2 1 25 1 3 2 7 2 4 3 9 1 5 3 27 1 6 4 5 1 7 4 6 1 8 4 14 1 9 5 7 1 10 5 15 1 11 5 16 1 12 6 9 1 13 6 17 1 14 6 18 1 15 7 8 1 16 8 10 1 17 8 19 1 18 8 20 1 19 9 21 1 20 9 22 1 21 10 11 1 22 10 23 1 23 10 24 1 24 11 12 2 25 11 26 1 26 12 13 1 27 12 28 1 28 13 29 1 29 13 30 1 30 13 31 1