@MOLECULE (2S,3R)-2-(1,1-dimethylpropyl)-3-isohexyl-oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3980 -2.4865 0.4213 C.3 1 UNL11111111 -0.4316 2 C -2.6554 -1.2319 0.8771 C.3 1 UNL11111111 -0.2742 3 C -2.8179 -0.0330 -0.0866 C.3 1 UNL11111111 0.0901 4 C -2.3559 -0.3808 -1.5052 C.3 1 UNL11111111 -0.4568 5 C -4.2912 0.4148 -0.1453 C.3 1 UNL11111111 -0.4612 6 C -2.0222 1.1286 0.5044 C.3 1 UNL11111111 -0.0373 7 H -2.5771 1.6618 1.2903 H 1 UNL11111111 0.1452 8 O -1.3570 2.0121 -0.4003 O.3 1 UNL11111111 -0.3583 9 C -0.5329 1.2799 0.5150 C.3 1 UNL11111111 0.0068 10 H -0.0955 1.9135 1.2982 H 1 UNL11111111 0.1468 11 C 0.4210 0.2848 -0.0898 C.3 1 UNL11111111 -0.2989 12 C 1.8787 0.6442 0.2293 C.3 1 UNL11111111 -0.2650 13 C 2.8275 -0.4153 -0.3450 C.3 1 UNL11111111 -0.2863 14 C 4.3049 -0.0170 -0.1639 C.3 1 UNL11111111 -0.0580 15 C 4.7225 -0.0791 1.3100 C.3 1 UNL11111111 -0.4547 16 C 5.1950 -0.9507 -0.9954 C.3 1 UNL11111111 -0.4594 17 H -4.4766 -2.3113 0.3429 H 1 UNL11111111 0.1434 18 H -3.0468 -2.8310 -0.5578 H 1 UNL11111111 0.1449 19 H -3.2510 -3.3088 1.1306 H 1 UNL11111111 0.1378 20 H -3.0086 -0.9403 1.8851 H 1 UNL11111111 0.1362 21 H -1.5790 -1.4647 0.9930 H 1 UNL11111111 0.1370 22 H -3.1113 -0.9642 -2.0420 H 1 UNL11111111 0.1453 23 H -2.1704 0.5318 -2.0894 H 1 UNL11111111 0.1639 24 H -1.4339 -0.9691 -1.5053 H 1 UNL11111111 0.1439 25 H -4.6947 0.6225 0.8501 H 1 UNL11111111 0.1421 26 H -4.3970 1.3241 -0.7494 H 1 UNL11111111 0.1534 27 H -4.9237 -0.3544 -0.6004 H 1 UNL11111111 0.1484 28 H 0.1948 -0.7359 0.2779 H 1 UNL11111111 0.1489 29 H 0.2801 0.2527 -1.1916 H 1 UNL11111111 0.1647 30 H 2.1209 1.6397 -0.1898 H 1 UNL11111111 0.1433 31 H 2.0219 0.7280 1.3225 H 1 UNL11111111 0.1370 32 H 2.6399 -1.3948 0.1311 H 1 UNL11111111 0.1378 33 H 2.6159 -0.5581 -1.4221 H 1 UNL11111111 0.1388 34 H 4.4428 1.0286 -0.5319 H 1 UNL11111111 0.1306 35 H 5.7769 0.1905 1.4341 H 1 UNL11111111 0.1408 36 H 4.1330 0.6116 1.9221 H 1 UNL11111111 0.1425 37 H 4.5897 -1.0842 1.7233 H 1 UNL11111111 0.1430 38 H 4.9501 -0.8924 -2.0612 H 1 UNL11111111 0.1425 39 H 6.2531 -0.6895 -0.8872 H 1 UNL11111111 0.1431 40 H 5.0813 -1.9945 -0.6849 H 1 UNL11111111 0.1437 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 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 13 14 1 15 14 15 1 16 14 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 2 20 1 21 2 21 1 22 4 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 5 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 14 34 1 35 15 35 1 36 15 36 1 37 15 37 1 38 16 38 1 39 16 39 1 40 16 40 1