@MOLECULE (2S,3R)-2-isobutyl-3-pentyl-oxirane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.7185 1.1814 0.0174 C.3 1 UNL11111111 -0.8052 2 C 4.7238 0.0431 -0.2084 C.3 1 UNL11111111 -0.0682 3 C 3.2829 0.5200 0.0181 C.3 1 UNL11111111 -0.4294 4 C 2.2915 -0.6289 -0.2057 C.3 1 UNL11111111 -0.4068 5 C 0.8493 -0.1363 -0.0355 C.3 1 UNL11111111 -0.2153 6 C -0.1374 -1.2673 -0.1753 C.3 1 UNL11111111 -0.1615 7 H 0.2295 -2.1529 -0.7034 H 1 UNL11111111 0.1641 8 O -0.8968 -1.5752 0.9994 O.3 1 UNL11111111 -0.1005 9 C -1.6117 -1.0167 -0.1093 C.3 1 UNL11111111 -0.1641 10 H -2.2951 -1.7261 -0.5870 H 1 UNL11111111 0.1741 11 C -2.1536 0.3737 0.0962 C.3 1 UNL11111111 -0.5750 12 C -3.6941 0.3965 0.1212 C.3 1 UNL11111111 0.4319 13 C -4.1794 1.7270 0.7098 C.3 1 UNL11111111 -1.0803 14 C -4.2647 0.2112 -1.2894 C.3 1 UNL11111111 -0.9790 15 H 5.5337 2.0172 -0.6665 H 1 UNL11111111 0.2153 16 H 5.6556 1.5713 1.0394 H 1 UNL11111111 0.2387 17 H 6.7492 0.8469 -0.1438 H 1 UNL11111111 0.2235 18 H 4.8338 -0.3553 -1.2345 H 1 UNL11111111 0.1118 19 H 4.9540 -0.8002 0.4701 H 1 UNL11111111 0.1363 20 H 3.1750 0.9213 1.0434 H 1 UNL11111111 0.2045 21 H 3.0533 1.3613 -0.6615 H 1 UNL11111111 0.1705 22 H 2.4308 -1.0590 -1.2151 H 1 UNL11111111 0.1857 23 H 2.4971 -1.4496 0.5084 H 1 UNL11111111 0.2084 24 H 0.7299 0.3432 0.9595 H 1 UNL11111111 0.1683 25 H 0.6281 0.6538 -0.7801 H 1 UNL11111111 0.1323 26 H -1.7620 0.7848 1.0512 H 1 UNL11111111 0.2254 27 H -1.7800 1.0499 -0.6974 H 1 UNL11111111 0.2167 28 H -4.0558 -0.4353 0.7737 H 1 UNL11111111 0.1197 29 H -3.8221 2.5803 0.1242 H 1 UNL11111111 0.2816 30 H -5.2737 1.7751 0.7273 H 1 UNL11111111 0.2928 31 H -3.8300 1.8594 1.7397 H 1 UNL11111111 0.2900 32 H -5.3601 0.1963 -1.2742 H 1 UNL11111111 0.2545 33 H -3.9571 1.0233 -1.9569 H 1 UNL11111111 0.2660 34 H -3.9309 -0.7290 -1.7400 H 1 UNL11111111 0.2734 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 9 10 1 10 6 9 1 11 9 11 1 12 11 12 1 13 12 13 1 14 12 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 14 34 1