@MOLECULE (2S,3R)-2-isohexyl-3-methyl-oxirane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.7528 1.1951 0.4247 C.3 1 UNL11111111 -0.4625 2 C 3.4050 -0.0608 -0.3195 C.3 1 UNL11111111 0.0185 3 H 4.1862 -0.4306 -0.9926 H 1 UNL11111111 0.1451 4 O 2.7789 -1.0918 0.4517 O.3 1 UNL11111111 -0.3622 5 C 1.9840 -0.4648 -0.5620 C.3 1 UNL11111111 0.0027 6 H 1.7560 -1.1227 -1.4072 H 1 UNL11111111 0.1480 7 C 0.8349 0.3769 -0.0706 C.3 1 UNL11111111 -0.2977 8 C -0.5136 -0.2594 -0.4303 C.3 1 UNL11111111 -0.2671 9 C -1.6688 0.5689 0.1455 C.3 1 UNL11111111 -0.2870 10 C -3.0392 0.0080 -0.2818 C.3 1 UNL11111111 -0.0576 11 C -3.3464 -1.3087 0.4408 C.3 1 UNL11111111 -0.4529 12 C -4.1347 1.0384 0.0249 C.3 1 UNL11111111 -0.4592 13 H 4.8069 1.2000 0.7337 H 1 UNL11111111 0.1569 14 H 3.5803 2.0860 -0.1929 H 1 UNL11111111 0.1547 15 H 3.1556 1.3028 1.3419 H 1 UNL11111111 0.1656 16 H 0.9062 0.5063 1.0300 H 1 UNL11111111 0.1614 17 H 0.9029 1.3955 -0.5012 H 1 UNL11111111 0.1478 18 H -0.6163 -0.3432 -1.5281 H 1 UNL11111111 0.1358 19 H -0.5562 -1.2943 -0.0384 H 1 UNL11111111 0.1465 20 H -1.6026 0.5998 1.2487 H 1 UNL11111111 0.1412 21 H -1.5779 1.6188 -0.1917 H 1 UNL11111111 0.1353 22 H -3.0247 -0.1795 -1.3825 H 1 UNL11111111 0.1276 23 H -2.5951 -2.0735 0.2161 H 1 UNL11111111 0.1446 24 H -3.3641 -1.1747 1.5279 H 1 UNL11111111 0.1456 25 H -4.3213 -1.7079 0.1418 H 1 UNL11111111 0.1404 26 H -3.9633 1.9771 -0.5115 H 1 UNL11111111 0.1402 27 H -5.1216 0.6666 -0.2705 H 1 UNL11111111 0.1431 28 H -4.1779 1.2699 1.0945 H 1 UNL11111111 0.1453 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 1 6 2 5 1 7 5 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 10 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 7 16 1 17 7 17 1 18 8 18 1 19 8 19 1 20 9 20 1 21 9 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