@MOLECULE (3r,7s)-3-hydroxy-7-methyl-2-[(1e)-1-propen-1-yl]-2,3,6,7-tetrahydro-4h,5h-pyrano[2,3-b]pyran-4,5-dione 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5180 -1.2508 0.2010 O.2 1 UNL1111111111 -0.3364 2 O 1.5938 -1.6982 0.1543 O.2 1 UNL1111111111 -0.3361 3 O -2.5007 1.8113 0.2155 O.3 1 UNL1111111111 -0.5375 4 O -0.0162 2.7839 0.1729 O.2 1 UNL1111111111 -0.4122 5 O 2.7481 2.2055 -0.1746 O.2 1 UNL1111111111 -0.4133 6 C -1.6422 -0.3571 0.4457 C.3 1 UNL1111111111 0.1135 7 C -1.4768 0.9854 -0.2857 C.3 1 UNL1111111111 -0.0217 8 C 2.9856 -1.3004 0.3507 C.3 1 UNL1111111111 0.1715 9 C 0.9840 0.6327 -0.0062 C.2 1 UNL1111111111 -0.6020 10 C 3.3353 -0.0709 -0.4628 C.3 1 UNL1111111111 -0.4651 11 C 0.6996 -0.7042 0.1206 C.2 1 UNL1111111111 0.5767 12 C -0.0909 1.5953 -0.0079 C.2 1 UNL1111111111 0.4704 13 C 2.3587 1.0685 -0.1854 C.2 1 UNL1111111111 0.5307 14 C 3.7358 -2.5472 -0.0830 C.3 1 UNL1111111111 -0.4788 15 C -2.8033 -1.1497 -0.0522 C.2 1 UNL1111111111 -0.2585 16 C -4.0579 -0.6997 0.0361 C.2 1 UNL1111111111 -0.0613 17 C -5.2311 -1.4723 -0.4501 C.3 1 UNL1111111111 -0.4561 18 H -1.6651 -0.2132 1.5531 H 1 UNL1111111111 0.1628 19 H -1.6455 0.8904 -1.3829 H 1 UNL1111111111 0.1677 20 H 3.0710 -1.1140 1.4475 H 1 UNL1111111111 0.1426 21 H 3.3239 -0.2782 -1.5529 H 1 UNL1111111111 0.1860 22 H 4.3713 0.2617 -0.2443 H 1 UNL1111111111 0.1899 23 H 4.8134 -2.4443 0.0963 H 1 UNL1111111111 0.1672 24 H 3.3901 -3.4350 0.4670 H 1 UNL1111111111 0.1691 25 H 3.5913 -2.7634 -1.1505 H 1 UNL1111111111 0.1682 26 H -2.5493 -2.1183 -0.4832 H 1 UNL1111111111 0.1724 27 H -2.1384 2.7164 0.4070 H 1 UNL1111111111 0.3488 28 H -4.2913 0.2801 0.4659 H 1 UNL1111111111 0.1666 29 H -5.7570 -0.9265 -1.2492 H 1 UNL1111111111 0.1621 30 H -4.9644 -2.4581 -0.8539 H 1 UNL1111111111 0.1537 31 H -5.9599 -1.6387 0.3576 H 1 UNL1111111111 0.1593 @BOND 1 1 6 1 2 1 11 1 3 2 8 1 4 2 11 1 5 3 7 1 6 3 27 1 7 4 12 2 8 5 13 2 9 6 7 1 10 6 15 1 11 6 18 1 12 7 12 1 13 7 19 1 14 8 10 1 15 8 14 1 16 8 20 1 17 9 11 2 18 9 12 1 19 9 13 1 20 10 13 1 21 10 21 1 22 10 22 1 23 14 23 1 24 14 24 1 25 14 25 1 26 15 16 2 27 15 26 1 28 16 17 1 29 16 28 1 30 17 29 1 31 17 30 1 32 17 31 1