@MOLECULE (2S,3R)-2-ethyl-2-methyl-3-pentyl-oxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.3458 -0.6043 0.1074 C.3 1 UNL11111111 -0.8091 2 C 4.1703 0.3618 -0.0399 C.3 1 UNL11111111 -0.0687 3 C 2.8331 -0.3807 0.0835 C.3 1 UNL11111111 -0.3661 4 C 1.6556 0.5892 -0.0762 C.3 1 UNL11111111 -0.4851 5 C 0.3242 -0.1453 0.1268 C.3 1 UNL11111111 -0.0595 6 C -0.8463 0.7882 -0.0433 C.3 1 UNL11111111 -0.4239 7 H -0.6085 1.8540 0.0390 H 1 UNL11111111 0.2393 8 O -1.7325 0.4833 -1.1269 O.3 1 UNL11111111 -0.1465 9 C -2.2613 0.3466 0.1972 C.3 1 UNL11111111 0.2527 10 C -3.2762 1.3935 0.5747 C.3 1 UNL11111111 -0.8904 11 C -2.5996 -1.0657 0.6167 C.3 1 UNL11111111 -0.1863 12 C -3.6485 -1.6673 -0.3191 C.3 1 UNL11111111 -0.7559 13 H 6.3039 -0.0767 0.0457 H 1 UNL11111111 0.2176 14 H 5.3188 -1.1259 1.0704 H 1 UNL11111111 0.2458 15 H 5.3387 -1.3669 -0.6795 H 1 UNL11111111 0.2326 16 H 4.2352 1.1545 0.7291 H 1 UNL11111111 0.1159 17 H 4.2273 0.8801 -1.0159 H 1 UNL11111111 0.1020 18 H 2.7729 -1.1791 -0.6797 H 1 UNL11111111 0.1786 19 H 2.7764 -0.8916 1.0625 H 1 UNL11111111 0.1911 20 H 1.7470 1.4188 0.6494 H 1 UNL11111111 0.1903 21 H 1.6807 1.0549 -1.0802 H 1 UNL11111111 0.1906 22 H 0.2435 -0.9829 -0.5988 H 1 UNL11111111 0.1435 23 H 0.2992 -0.6087 1.1330 H 1 UNL11111111 0.1310 24 H -4.3033 1.0299 0.4404 H 1 UNL11111111 0.2762 25 H -3.1625 1.6963 1.6223 H 1 UNL11111111 0.2676 26 H -3.1779 2.2931 -0.0491 H 1 UNL11111111 0.2381 27 H -1.6952 -1.7063 0.6123 H 1 UNL11111111 0.1285 28 H -2.9643 -1.0707 1.6626 H 1 UNL11111111 0.1663 29 H -4.6055 -1.1388 -0.2526 H 1 UNL11111111 0.2235 30 H -3.3163 -1.6066 -1.3653 H 1 UNL11111111 0.2269 31 H -3.8317 -2.7216 -0.0880 H 1 UNL11111111 0.2336 @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 6 9 1 10 9 10 1 11 9 11 1 12 11 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 10 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 12 31 1