@MOLECULE oidiolactone d 40 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2204 -1.3929 1.6240 O.3 1 UNL1111111111 -0.2922 2 O 1.9607 -1.8830 -0.1256 O.3 1 UNL1111111111 -0.4037 3 O -3.7796 -0.4095 0.0313 O.3 1 UNL1111111111 -0.4539 4 O -2.6336 -1.4169 -1.6839 O.3 1 UNL1111111111 -0.5431 5 O 3.7920 -1.2530 -1.2215 O.2 1 UNL1111111111 -0.4244 6 O -4.4876 1.6052 0.4881 O.2 1 UNL1111111111 -0.3989 7 C 1.2381 0.2041 0.7568 C.3 1 UNL1111111111 -0.1827 8 C 0.3135 0.8761 -0.2840 C.3 1 UNL1111111111 0.0675 9 C -1.4202 -0.8707 0.3096 C.3 1 UNL1111111111 -0.0147 10 C -0.3264 -1.8411 0.5992 C.3 1 UNL1111111111 0.0039 11 C 1.0707 -1.3294 0.8497 C.3 1 UNL1111111111 0.0680 12 C 2.7344 0.3257 0.3697 C.3 1 UNL1111111111 -0.0281 13 C -1.1236 0.5614 0.0589 C.2 1 UNL1111111111 0.0556 14 C 0.6113 2.3907 -0.2732 C.3 1 UNL1111111111 -0.2906 15 C 3.0373 1.5847 -0.4454 C.3 1 UNL1111111111 -0.2735 16 C -2.7494 -1.3082 -0.3051 C.3 1 UNL1111111111 0.3706 17 C 2.0955 2.7195 -0.0333 C.3 1 UNL1111111111 -0.2581 18 C 2.9477 -0.9600 -0.4303 C.2 1 UNL1111111111 0.5675 19 C 0.4787 0.3204 -1.7143 C.3 1 UNL1111111111 -0.4684 20 C 3.6329 0.2573 1.6054 C.3 1 UNL1111111111 -0.4565 21 C -2.1568 1.4092 0.0001 C.2 1 UNL1111111111 -0.3323 22 C -3.5357 0.9336 0.2025 C.2 1 UNL1111111111 0.6014 23 H 1.0412 0.6729 1.7467 H 1 UNL1111111111 0.1717 24 H -0.4042 -2.8929 0.2992 H 1 UNL1111111111 0.1878 25 H 1.4258 -1.7142 1.8392 H 1 UNL1111111111 0.1567 26 H 0.0108 2.8872 0.5150 H 1 UNL1111111111 0.1476 27 H 0.2801 2.8397 -1.2305 H 1 UNL1111111111 0.1494 28 H 2.9529 1.3889 -1.5337 H 1 UNL1111111111 0.1567 29 H 4.0923 1.8937 -0.3044 H 1 UNL1111111111 0.1538 30 H -3.1319 -2.2990 0.0372 H 1 UNL1111111111 0.1830 31 H 2.3622 3.6428 -0.5829 H 1 UNL1111111111 0.1408 32 H 2.2559 2.9574 1.0370 H 1 UNL1111111111 0.1398 33 H 1.4603 0.5576 -2.1406 H 1 UNL1111111111 0.1640 34 H 0.3802 -0.7741 -1.7472 H 1 UNL1111111111 0.1738 35 H -0.2665 0.7428 -2.3974 H 1 UNL1111111111 0.1517 36 H 3.5158 1.1526 2.2296 H 1 UNL1111111111 0.1606 37 H 3.4161 -0.6129 2.2364 H 1 UNL1111111111 0.1554 38 H 4.6942 0.1937 1.3242 H 1 UNL1111111111 0.1664 39 H -2.0674 2.4773 -0.1951 H 1 UNL1111111111 0.1942 40 H -2.5293 -0.5510 -2.1305 H 1 UNL1111111111 0.3332 @BOND 1 1 9 1 2 1 10 1 3 2 11 1 4 2 18 1 5 3 16 1 6 3 22 1 7 4 16 1 8 4 40 1 9 5 18 2 10 6 22 2 11 7 8 1 12 7 11 1 13 7 12 1 14 7 23 1 15 8 13 1 16 8 14 1 17 8 19 1 18 9 10 1 19 9 13 1 20 9 16 1 21 10 11 1 22 10 24 1 23 11 25 1 24 12 15 1 25 12 18 1 26 12 20 1 27 13 21 2 28 14 17 1 29 14 26 1 30 14 27 1 31 15 17 1 32 15 28 1 33 15 29 1 34 16 30 1 35 17 31 1 36 17 32 1 37 19 33 1 38 19 34 1 39 19 35 1 40 20 36 1 41 20 37 1 42 20 38 1 43 21 22 1 44 21 39 1