@MOLECULE (4r,5s,6s)-6-[(2e)-2-buten-2-yl]-4-hydroxy-3,3,5-trimethyltetrahydro-2h-pyran-2-one 35 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0132 -1.1891 0.3652 O.3 1 UNL1111111111 -0.4300 2 O 1.3306 1.7549 1.1286 O.3 1 UNL1111111111 -0.5545 3 O 1.8644 -2.2247 0.6546 O.2 1 UNL1111111111 -0.4555 4 C 2.1122 0.0012 -0.2308 C.3 1 UNL1111111111 -0.0370 5 C -0.1686 1.0368 -0.6352 C.3 1 UNL1111111111 -0.2124 6 C 1.2865 1.3043 -0.2135 C.3 1 UNL1111111111 0.1281 7 C -0.7560 0.0274 0.3648 C.3 1 UNL1111111111 0.1210 8 C 1.3460 -1.1895 0.3241 C.2 1 UNL1111111111 0.5933 9 C 2.4773 -0.3573 -1.6772 C.3 1 UNL1111111111 -0.4560 10 C 3.3798 0.1782 0.6083 C.3 1 UNL1111111111 -0.4335 11 C -0.9835 2.3260 -0.6566 C.3 1 UNL1111111111 -0.4470 12 C -2.1592 -0.3839 -0.0104 C.2 1 UNL1111111111 -0.0241 13 C -2.2798 -1.3177 -1.1621 C.3 1 UNL1111111111 -0.4407 14 C -3.1964 0.1072 0.6811 C.2 1 UNL1111111111 -0.1662 15 C -4.6202 -0.2019 0.3776 C.3 1 UNL1111111111 -0.4361 16 H -0.1758 0.5840 -1.6568 H 1 UNL1111111111 0.1617 17 H 1.7620 2.0831 -0.8492 H 1 UNL1111111111 0.1252 18 H -0.6909 0.4139 1.4111 H 1 UNL1111111111 0.1507 19 H 1.5928 -0.5194 -2.3031 H 1 UNL1111111111 0.1498 20 H 3.0824 0.4280 -2.1437 H 1 UNL1111111111 0.1541 21 H 3.0711 -1.2837 -1.7117 H 1 UNL1111111111 0.1715 22 H 3.1367 0.4177 1.6550 H 1 UNL1111111111 0.1721 23 H 3.9832 -0.7398 0.6197 H 1 UNL1111111111 0.1637 24 H 4.0032 0.9938 0.2289 H 1 UNL1111111111 0.1479 25 H -0.5403 3.0725 -1.3255 H 1 UNL1111111111 0.1482 26 H -2.0061 2.1374 -1.0162 H 1 UNL1111111111 0.1625 27 H -1.0814 2.7762 0.3377 H 1 UNL1111111111 0.1448 28 H 0.7964 2.5659 1.2383 H 1 UNL1111111111 0.3164 29 H -3.2333 -1.8628 -1.1633 H 1 UNL1111111111 0.1545 30 H -2.2023 -0.7850 -2.1193 H 1 UNL1111111111 0.1482 31 H -1.4847 -2.0835 -1.1455 H 1 UNL1111111111 0.1772 32 H -3.0461 0.7733 1.5297 H 1 UNL1111111111 0.1437 33 H -4.8597 -0.0341 -0.6820 H 1 UNL1111111111 0.1514 34 H -4.8518 -1.2559 0.5991 H 1 UNL1111111111 0.1609 35 H -5.3140 0.4107 0.9674 H 1 UNL1111111111 0.1460 @BOND 1 1 7 1 2 1 8 1 3 2 6 1 4 2 28 1 5 3 8 2 6 4 6 1 7 4 8 1 8 4 9 1 9 4 10 1 10 5 6 1 11 5 7 1 12 5 11 1 13 5 16 1 14 6 17 1 15 7 12 1 16 7 18 1 17 9 19 1 18 9 20 1 19 9 21 1 20 10 22 1 21 10 23 1 22 10 24 1 23 11 25 1 24 11 26 1 25 11 27 1 26 12 13 1 27 12 14 2 28 13 29 1 29 13 30 1 30 13 31 1 31 14 15 1 32 14 32 1 33 15 33 1 34 15 34 1 35 15 35 1