@MOLECULE (1ar,4e)-1a,5,9-trimethyl-1a,3,6,10a-tetrahydrooxireno[4,5]cyclodeca[1,2-b]furan-10(2h)-one 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7436 -2.2908 -0.1566 O.3 1 UNL1111111111 -0.3199 2 O -0.0952 -1.1117 1.8323 O.2 1 UNL1111111111 -0.4096 3 O 3.0235 1.2014 -0.2979 O.2 1 UNL1111111111 -0.1919 4 C -2.2053 -0.9670 -0.4364 C.3 1 UNL1111111111 0.2222 5 C -0.7410 -1.3164 -0.4498 C.3 1 UNL1111111111 -0.1522 6 C -2.8511 -0.2744 0.7391 C.3 1 UNL1111111111 -0.3022 7 C -2.8965 -0.8114 -1.7645 C.3 1 UNL1111111111 -0.4751 8 C 0.1721 -0.9260 0.6729 C.2 1 UNL1111111111 0.4968 9 C -2.7237 1.2564 0.6631 C.3 1 UNL1111111111 -0.2570 10 C 1.4251 -0.2995 0.2350 C.ar 1 UNL1111111111 -0.2991 11 C -1.3098 1.6514 0.9280 C.2 1 UNL1111111111 -0.1896 12 C 1.7287 1.0353 0.1507 C.ar 1 UNL1111111111 0.1913 13 C 1.0040 2.2958 0.4001 C.3 1 UNL1111111111 -0.3061 14 C -0.4432 2.1118 0.0178 C.2 1 UNL1111111111 0.0130 15 C 2.6070 -1.0218 -0.1842 C.ar 1 UNL1111111111 -0.0014 16 C 3.5418 -0.0700 -0.4900 C.ar 1 UNL1111111111 -0.0768 17 C -0.7542 2.3997 -1.4094 C.3 1 UNL1111111111 -0.4468 18 C 2.7367 -2.4860 -0.2444 C.3 1 UNL1111111111 -0.4311 19 H -0.2329 -1.4736 -1.4080 H 1 UNL1111111111 0.1688 20 H -3.9193 -0.5640 0.7975 H 1 UNL1111111111 0.1526 21 H -2.4011 -0.6479 1.6895 H 1 UNL1111111111 0.1877 22 H -2.6015 -1.6014 -2.4703 H 1 UNL1111111111 0.1665 23 H -2.6549 0.1550 -2.2254 H 1 UNL1111111111 0.1582 24 H -3.9881 -0.8698 -1.6628 H 1 UNL1111111111 0.1607 25 H -3.3924 1.7198 1.4192 H 1 UNL1111111111 0.1470 26 H -3.0906 1.6238 -0.3141 H 1 UNL1111111111 0.1422 27 H -0.9939 1.4751 1.9607 H 1 UNL1111111111 0.1625 28 H 1.1037 2.5850 1.4741 H 1 UNL1111111111 0.1808 29 H 1.4659 3.1398 -0.1608 H 1 UNL1111111111 0.1755 30 H 4.5486 -0.0693 -0.8276 H 1 UNL1111111111 0.1728 31 H -0.3413 3.3668 -1.7292 H 1 UNL1111111111 0.1545 32 H -1.8326 2.4336 -1.6140 H 1 UNL1111111111 0.1524 33 H -0.3205 1.6296 -2.0667 H 1 UNL1111111111 0.1604 34 H 3.7428 -2.8092 -0.5470 H 1 UNL1111111111 0.1563 35 H 2.0227 -2.9304 -0.9564 H 1 UNL1111111111 0.1634 36 H 2.5304 -2.9460 0.7381 H 1 UNL1111111111 0.1734 @BOND 1 1 4 1 2 1 5 1 3 2 8 2 4 3 12 ar 5 3 16 ar 6 4 5 1 7 4 6 1 8 4 7 1 9 5 8 1 10 5 19 1 11 6 9 1 12 6 20 1 13 6 21 1 14 7 22 1 15 7 23 1 16 7 24 1 17 8 10 1 18 9 11 1 19 9 25 1 20 9 26 1 21 10 12 ar 22 10 15 ar 23 11 14 2 24 11 27 1 25 12 13 1 26 13 14 1 27 13 28 1 28 13 29 1 29 14 17 1 30 15 16 ar 31 15 18 1 32 16 30 1 33 17 31 1 34 17 32 1 35 17 33 1 36 18 34 1 37 18 35 1 38 18 36 1