@MOLECULE (5s,8r,9r)-4-isopropylidene-10-oxatricyclo[7.2.1.0~1,5~]dodecane-8-carboperoxoic acid 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2173 2.4772 0.7945 O.3 1 UNL1111111111 -0.4108 2 O 3.3900 -0.8763 -0.5624 O.3 1 UNL1111111111 -0.1736 3 O 1.6024 -2.0554 0.1496 O.2 1 UNL1111111111 -0.4677 4 O 3.5367 -1.9019 -1.5332 O.3 1 UNL1111111111 -0.2322 5 C -0.4341 1.3336 -0.5237 C.3 1 UNL1111111111 0.0318 6 C -0.8659 -0.0513 0.0428 C.3 1 UNL1111111111 -0.1231 7 C 0.9605 1.2081 -1.1647 C.3 1 UNL1111111111 -0.3512 8 C -1.5564 1.7286 -1.4951 C.3 1 UNL1111111111 -0.2927 9 C 1.8606 1.4520 0.0543 C.3 1 UNL1111111111 0.1382 10 C -0.1907 2.4357 0.5304 C.3 1 UNL1111111111 -0.0533 11 C -0.5143 -0.3111 1.5128 C.3 1 UNL1111111111 -0.2728 12 C -2.3513 -0.1486 -0.2098 C.2 1 UNL1111111111 -0.0826 13 C -2.8257 1.1086 -0.8833 C.3 1 UNL1111111111 -0.2671 14 C 2.0320 0.2144 0.9804 C.3 1 UNL1111111111 -0.2396 15 C 0.8991 0.0550 2.0022 C.3 1 UNL1111111111 -0.2455 16 C -3.1361 -1.2081 0.0272 C.2 1 UNL1111111111 0.0088 17 C 2.2336 -1.0344 0.1711 C.2 1 UNL1111111111 0.5150 18 C -2.6346 -2.5105 0.5546 C.3 1 UNL1111111111 -0.4504 19 C -4.6061 -1.1725 -0.2519 C.3 1 UNL1111111111 -0.4466 20 H -0.3643 -0.8483 -0.5675 H 1 UNL1111111111 0.1620 21 H 1.1226 1.9862 -1.9307 H 1 UNL1111111111 0.1568 22 H 1.1287 0.2480 -1.6712 H 1 UNL1111111111 0.1620 23 H -1.3681 1.3081 -2.4984 H 1 UNL1111111111 0.1478 24 H -1.6458 2.8155 -1.6284 H 1 UNL1111111111 0.1398 25 H 2.8486 1.8790 -0.2090 H 1 UNL1111111111 0.1401 26 H -0.4358 3.4444 0.1616 H 1 UNL1111111111 0.1277 27 H -0.6953 2.2610 1.4897 H 1 UNL1111111111 0.1348 28 H -0.6667 -1.3958 1.7055 H 1 UNL1111111111 0.1508 29 H -1.2551 0.2046 2.1571 H 1 UNL1111111111 0.1400 30 H -3.5879 0.9109 -1.6559 H 1 UNL1111111111 0.1452 31 H -3.2910 1.7925 -0.1499 H 1 UNL1111111111 0.1446 32 H 2.9717 0.3953 1.5766 H 1 UNL1111111111 0.1720 33 H 0.8417 1.0059 2.5792 H 1 UNL1111111111 0.1600 34 H 1.2077 -0.7162 2.7408 H 1 UNL1111111111 0.1388 35 H -2.7127 -2.5535 1.6499 H 1 UNL1111111111 0.1540 36 H -3.2051 -3.3594 0.1533 H 1 UNL1111111111 0.1526 37 H -1.5817 -2.6926 0.2879 H 1 UNL1111111111 0.1628 38 H -4.8074 -1.3924 -1.3103 H 1 UNL1111111111 0.1540 39 H -5.1580 -1.9104 0.3450 H 1 UNL1111111111 0.1500 40 H -5.0477 -0.1926 -0.0283 H 1 UNL1111111111 0.1488 41 H 3.6163 -2.7198 -0.9730 H 1 UNL1111111111 0.2708 @BOND 1 1 9 1 2 1 10 1 3 2 4 1 4 2 17 1 5 3 17 2 6 4 41 1 7 5 6 1 8 5 7 1 9 5 8 1 10 5 10 1 11 6 11 1 12 6 12 1 13 6 20 1 14 7 9 1 15 7 21 1 16 7 22 1 17 8 13 1 18 8 23 1 19 8 24 1 20 9 14 1 21 9 25 1 22 10 26 1 23 10 27 1 24 11 15 1 25 11 28 1 26 11 29 1 27 12 13 1 28 12 16 2 29 13 30 1 30 13 31 1 31 14 15 1 32 14 17 1 33 14 32 1 34 15 33 1 35 15 34 1 36 16 18 1 37 16 19 1 38 18 35 1 39 18 36 1 40 18 37 1 41 19 38 1 42 19 39 1 43 19 40 1