@MOLECULE (2R,3S)-2-tert-butyl-3-isopropyl-oxirane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.7802 0.4293 -0.1382 C.3 1 UNL11111111 -0.0868 2 C -3.1604 0.3565 -0.8093 C.3 1 UNL11111111 -0.4529 3 C -1.9409 0.3895 1.3833 C.3 1 UNL11111111 -0.4404 4 C -0.9188 -0.7217 -0.6199 C.3 1 UNL11111111 -0.0106 5 H -1.4219 -1.3551 -1.3675 H 1 UNL11111111 0.1448 6 O -0.2244 -1.4926 0.3619 O.3 1 UNL11111111 -0.3537 7 C 0.5791 -0.8009 -0.5998 C.3 1 UNL11111111 -0.0362 8 H 1.0196 -1.4870 -1.3412 H 1 UNL11111111 0.1449 9 C 1.5914 0.2089 -0.0677 C.3 1 UNL11111111 0.1106 10 C 1.7531 0.0167 1.4461 C.3 1 UNL11111111 -0.4535 11 C 2.9481 -0.0726 -0.7502 C.3 1 UNL11111111 -0.4659 12 C 1.1966 1.6573 -0.3802 C.3 1 UNL11111111 -0.4655 13 H -1.3041 1.3971 -0.4325 H 1 UNL11111111 0.1427 14 H -3.6816 -0.5732 -0.5529 H 1 UNL11111111 0.1502 15 H -3.7985 1.1863 -0.4854 H 1 UNL11111111 0.1468 16 H -3.0814 0.4092 -1.9001 H 1 UNL11111111 0.1415 17 H -2.3733 -0.5641 1.7124 H 1 UNL11111111 0.1555 18 H -0.9686 0.4834 1.8859 H 1 UNL11111111 0.1515 19 H -2.5880 1.1960 1.7413 H 1 UNL11111111 0.1402 20 H 2.0594 -1.0094 1.6834 H 1 UNL11111111 0.1543 21 H 2.4998 0.6995 1.8605 H 1 UNL11111111 0.1427 22 H 0.8061 0.1886 1.9742 H 1 UNL11111111 0.1541 23 H 2.8931 0.0871 -1.8316 H 1 UNL11111111 0.1440 24 H 3.7290 0.5887 -0.3598 H 1 UNL11111111 0.1485 25 H 3.2797 -1.1014 -0.5746 H 1 UNL11111111 0.1481 26 H 0.3725 1.9985 0.2567 H 1 UNL11111111 0.1504 27 H 2.0339 2.3419 -0.2024 H 1 UNL11111111 0.1487 28 H 0.8925 1.7725 -1.4255 H 1 UNL11111111 0.1458 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 4 6 1 6 6 7 1 7 7 8 1 8 4 7 1 9 7 9 1 10 9 10 1 11 9 11 1 12 9 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 10 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1