@MOLECULE (2R,3S)-2-isohexyl-3-[(1S,2S)-2-methylcyclobutyl]oxirane 38 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.4421 -0.3271 0.1230 C.3 1 UNL11111111 0.3481 2 C 5.2709 -1.5644 -0.2488 C.3 1 UNL11111111 -0.9835 3 C 4.9599 0.8966 -0.6418 C.3 1 UNL11111111 -0.9369 4 C 2.9566 -0.5875 -0.1911 C.3 1 UNL11111111 -0.7275 5 C 2.0460 0.4642 0.4546 C.3 1 UNL11111111 -0.2339 6 C 0.5758 0.1434 0.1601 C.3 1 UNL11111111 -0.2608 7 C -0.3478 1.1499 0.7964 C.3 1 UNL11111111 -0.1277 8 H 0.0631 1.6967 1.6511 H 1 UNL11111111 0.1705 9 O -1.0913 1.9757 -0.1061 O.3 1 UNL11111111 -0.1340 10 C -1.8337 1.0195 0.6599 C.3 1 UNL11111111 -0.4180 11 H -2.4819 1.4716 1.4176 H 1 UNL11111111 0.2369 12 C -2.4383 -0.1063 -0.1205 C.3 1 UNL11111111 0.1228 13 H -1.9634 -0.1986 -1.1141 H 1 UNL11111111 0.1234 14 C -4.0014 -0.0923 -0.2074 C.3 1 UNL11111111 0.1509 15 H -4.4578 0.7261 0.3743 H 1 UNL11111111 0.1253 16 C -4.5488 -0.1133 -1.6194 C.3 1 UNL11111111 -0.9945 17 C -4.0455 -1.4595 0.5379 C.3 1 UNL11111111 -0.5729 18 C -2.5012 -1.4523 0.6588 C.3 1 UNL11111111 -0.4085 19 H 4.5526 -0.1411 1.2184 H 1 UNL11111111 0.1092 20 H 6.3341 -1.4065 -0.0389 H 1 UNL11111111 0.2714 21 H 4.9518 -2.4451 0.3177 H 1 UNL11111111 0.2555 22 H 5.1785 -1.8027 -1.3136 H 1 UNL11111111 0.2804 23 H 4.8497 0.7685 -1.7240 H 1 UNL11111111 0.2849 24 H 4.4148 1.8045 -0.3613 H 1 UNL11111111 0.2469 25 H 6.0208 1.0737 -0.4366 H 1 UNL11111111 0.2516 26 H 2.8015 -0.6040 -1.2857 H 1 UNL11111111 0.2629 27 H 2.6740 -1.5949 0.1689 H 1 UNL11111111 0.2538 28 H 2.2218 0.5005 1.5456 H 1 UNL11111111 0.1653 29 H 2.2944 1.4720 0.0697 H 1 UNL11111111 0.1714 30 H 0.4105 0.1213 -0.9383 H 1 UNL11111111 0.1860 31 H 0.3264 -0.8742 0.5229 H 1 UNL11111111 0.1275 32 H -4.1276 -0.9338 -2.2121 H 1 UNL11111111 0.2860 33 H -5.6387 -0.2333 -1.6219 H 1 UNL11111111 0.2725 34 H -4.3172 0.8221 -2.1459 H 1 UNL11111111 0.2720 35 H -4.5769 -1.4363 1.4910 H 1 UNL11111111 0.2012 36 H -4.4493 -2.2840 -0.0533 H 1 UNL11111111 0.2368 37 H -2.0020 -2.2843 0.1579 H 1 UNL11111111 0.1722 38 H -2.1282 -1.4007 1.6843 H 1 UNL11111111 0.2129 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 10 11 1 11 7 10 1 12 10 12 1 13 12 13 1 14 12 14 1 15 14 15 1 16 14 16 1 17 14 17 1 18 17 18 1 19 12 18 1 20 1 19 1 21 2 20 1 22 2 21 1 23 2 22 1 24 3 23 1 25 3 24 1 26 3 25 1 27 4 26 1 28 4 27 1 29 5 28 1 30 5 29 1 31 6 30 1 32 6 31 1 33 16 32 1 34 16 33 1 35 16 34 1 36 17 35 1 37 17 36 1 38 18 37 1 39 18 38 1