@MOLECULE (1r,4s,5r,8s,12r,13r)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-9-ene 41 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5139 0.4798 -1.3771 O.3 1 UNL11111111 -0.1413 2 O 1.7232 0.0710 1.1581 O.3 1 UNL11111111 -0.4393 3 O 1.7743 0.9853 -0.9500 O.3 1 UNL11111111 -0.1692 4 O 0.3076 1.7991 1.3341 O.2 1 UNL11111111 -0.3708 5 C -0.2437 -0.0201 -0.2724 C.3 1 UNL11111111 0.0511 6 C -0.2514 -1.5566 -0.4455 C.3 1 UNL11111111 -0.1569 7 C -1.6310 0.6235 -0.4737 C.3 1 UNL11111111 -0.1180 8 C -1.3568 -2.2099 0.4139 C.3 1 UNL11111111 -0.0860 9 C 0.3688 0.3966 1.0776 C.3 1 UNL11111111 0.2992 10 C 1.1209 -2.1655 -0.1001 C.3 1 UNL11111111 -0.2673 11 C -2.6810 -0.0591 0.4152 C.3 1 UNL11111111 -0.2736 12 C -2.7205 -1.5591 0.1235 C.3 1 UNL11111111 -0.2887 13 C 2.3908 0.0396 -0.1037 C.3 1 UNL11111111 0.3873 14 C 2.3042 -1.3824 -0.6782 C.3 1 UNL11111111 -0.3392 15 C -1.5381 2.0842 -0.1655 C.2 1 UNL11111111 -0.1623 16 C -1.4512 -3.7140 0.1296 C.3 1 UNL11111111 -0.4524 17 C -0.5892 2.5516 0.6584 C.2 1 UNL11111111 0.0837 18 C 3.7924 0.5730 0.1433 C.3 1 UNL11111111 -0.4799 19 C -2.5060 2.9860 -0.8452 C.3 1 UNL11111111 -0.4143 20 H -0.4683 -1.7604 -1.5236 H 1 UNL11111111 0.1541 21 H -1.9205 0.4864 -1.5480 H 1 UNL11111111 0.1599 22 H -1.1113 -2.0631 1.4929 H 1 UNL11111111 0.1353 23 H -0.0847 -0.0850 1.9707 H 1 UNL11111111 0.1490 24 H 1.1598 -3.2060 -0.4787 H 1 UNL11111111 0.1401 25 H 1.2359 -2.2432 1.0008 H 1 UNL11111111 0.1548 26 H -3.6735 0.3958 0.2336 H 1 UNL11111111 0.1446 27 H -2.4628 0.1275 1.4831 H 1 UNL11111111 0.1457 28 H -3.5046 -2.0420 0.7359 H 1 UNL11111111 0.1394 29 H -3.0096 -1.7368 -0.9293 H 1 UNL11111111 0.1420 30 H 3.2426 -1.9309 -0.4700 H 1 UNL11111111 0.1521 31 H 2.2204 -1.3199 -1.7820 H 1 UNL11111111 0.1663 32 H -1.5974 -3.9146 -0.9371 H 1 UNL11111111 0.1451 33 H -0.5469 -4.2441 0.4464 H 1 UNL11111111 0.1445 34 H -2.2922 -4.1659 0.6676 H 1 UNL11111111 0.1431 35 H -0.4010 3.5832 0.9363 H 1 UNL11111111 0.1635 36 H 4.4289 0.4610 -0.7402 H 1 UNL11111111 0.1613 37 H 3.7610 1.6414 0.4087 H 1 UNL11111111 0.1774 38 H 4.2601 0.0502 0.9885 H 1 UNL11111111 0.1722 39 H -2.5054 4.0005 -0.4253 H 1 UNL11111111 0.1460 40 H -3.5344 2.6062 -0.7701 H 1 UNL11111111 0.1467 41 H -2.2685 3.0802 -1.9165 H 1 UNL11111111 0.1547 @BOND 1 1 3 1 2 1 5 1 3 2 9 1 4 2 13 1 5 3 13 1 6 4 9 1 7 4 17 1 8 5 6 1 9 5 7 1 10 5 9 1 11 6 8 1 12 6 10 1 13 6 20 1 14 7 11 1 15 7 15 1 16 7 21 1 17 8 12 1 18 8 16 1 19 8 22 1 20 9 23 1 21 10 14 1 22 10 24 1 23 10 25 1 24 11 12 1 25 11 26 1 26 11 27 1 27 12 28 1 28 12 29 1 29 13 14 1 30 13 18 1 31 14 30 1 32 14 31 1 33 15 17 2 34 15 19 1 35 16 32 1 36 16 33 1 37 16 34 1 38 17 35 1 39 18 36 1 40 18 37 1 41 18 38 1 42 19 39 1 43 19 40 1 44 19 41 1