@MOLECULE (2R,3S)-2-[(1R)-1-methylbutyl]-3-propyl-oxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.6614 1.7085 -0.6964 C.3 1 UNL11111111 -0.4385 2 C 2.9459 0.6703 0.1662 C.3 1 UNL11111111 -0.2444 3 C 2.2072 -0.3493 -0.7088 C.3 1 UNL11111111 -0.2968 4 C 1.4920 -1.3573 0.1527 C.3 1 UNL11111111 0.0019 5 H 2.1524 -2.0658 0.6660 H 1 UNL11111111 0.1456 6 O 0.3424 -1.9693 -0.4411 O.3 1 UNL11111111 -0.3624 7 C 0.1180 -1.1347 0.7006 C.3 1 UNL11111111 -0.0129 8 H -0.1895 -1.6921 1.5929 H 1 UNL11111111 0.1479 9 C -0.6785 0.1298 0.4526 C.3 1 UNL11111111 -0.1084 10 H -0.2386 0.6971 -0.4040 H 1 UNL11111111 0.1482 11 C -0.6298 1.0027 1.7105 C.3 1 UNL11111111 -0.4492 12 C -2.1208 -0.2675 0.0880 C.3 1 UNL11111111 -0.2812 13 C -2.9188 0.9234 -0.4562 C.3 1 UNL11111111 -0.2473 14 C -4.3276 0.4884 -0.8609 C.3 1 UNL11111111 -0.4387 15 H 4.1936 2.4397 -0.0778 H 1 UNL11111111 0.1406 16 H 4.3985 1.2412 -1.3591 H 1 UNL11111111 0.1442 17 H 2.9564 2.2625 -1.3265 H 1 UNL11111111 0.1442 18 H 3.6735 0.1536 0.8205 H 1 UNL11111111 0.1353 19 H 2.2299 1.1722 0.8460 H 1 UNL11111111 0.1379 20 H 1.4981 0.1634 -1.3898 H 1 UNL11111111 0.1574 21 H 2.9194 -0.8703 -1.3803 H 1 UNL11111111 0.1525 22 H 0.4023 1.2271 2.0021 H 1 UNL11111111 0.1434 23 H -1.1401 1.9586 1.5472 H 1 UNL11111111 0.1480 24 H -1.1171 0.5146 2.5617 H 1 UNL11111111 0.1473 25 H -2.0931 -1.0752 -0.6725 H 1 UNL11111111 0.1537 26 H -2.6328 -0.6996 0.9665 H 1 UNL11111111 0.1389 27 H -2.9759 1.7241 0.3046 H 1 UNL11111111 0.1322 28 H -2.3956 1.3650 -1.3254 H 1 UNL11111111 0.1339 29 H -4.9049 1.3307 -1.2568 H 1 UNL11111111 0.1389 30 H -4.2995 -0.2858 -1.6365 H 1 UNL11111111 0.1457 31 H -4.8813 0.0799 -0.0085 H 1 UNL11111111 0.1416 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 6 7 1 7 7 8 1 8 4 7 1 9 7 9 1 10 9 10 1 11 9 11 1 12 9 12 1 13 12 13 1 14 13 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 11 22 1 23 11 23 1 24 11 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 13 28 1 29 14 29 1 30 14 30 1 31 14 31 1