@MOLECULE (2s,3r)-2-ethyl-3-pentyloxirane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.4307 -1.1218 0.0047 C.3 1 UNL111111111 -0.4341 2 C 2.9139 -0.9417 0.0339 C.3 1 UNL111111111 -0.2755 3 C 2.5246 0.4695 -0.3280 C.3 1 UNL111111111 0.0005 4 H 3.2663 1.0257 -0.9102 H 1 UNL111111111 0.1496 5 O 1.9273 1.2394 0.7216 O.3 1 UNL111111111 -0.3632 6 C 1.0892 0.8893 -0.3859 C.3 1 UNL111111111 -0.0014 7 H 0.8109 1.7447 -1.0103 H 1 UNL111111111 0.1492 8 C -0.0231 -0.0823 -0.0852 C.3 1 UNL111111111 -0.2978 9 C -1.3971 0.5835 -0.2327 C.3 1 UNL111111111 -0.2674 10 C -2.5179 -0.4170 0.0759 C.3 1 UNL111111111 -0.2704 11 C -3.8944 0.2368 -0.1057 C.3 1 UNL111111111 -0.2499 12 C -5.0147 -0.7628 0.1816 C.3 1 UNL111111111 -0.4414 13 H 4.9289 -0.4109 0.6761 H 1 UNL111111111 0.1516 14 H 4.7165 -2.1298 0.3262 H 1 UNL111111111 0.1443 15 H 4.8377 -0.9691 -1.0010 H 1 UNL111111111 0.1425 16 H 2.4310 -1.6569 -0.6618 H 1 UNL111111111 0.1449 17 H 2.5249 -1.1909 1.0444 H 1 UNL111111111 0.1594 18 H 0.0479 -0.9596 -0.7586 H 1 UNL111111111 0.1471 19 H 0.0932 -0.4790 0.9457 H 1 UNL111111111 0.1617 20 H -1.4682 1.4536 0.4485 H 1 UNL111111111 0.1454 21 H -1.5195 0.9850 -1.2558 H 1 UNL111111111 0.1363 22 H -2.4319 -1.3024 -0.5807 H 1 UNL111111111 0.1354 23 H -2.4141 -0.7948 1.1104 H 1 UNL111111111 0.1389 24 H -3.9884 1.1128 0.5641 H 1 UNL111111111 0.1360 25 H -3.9950 0.6308 -1.1344 H 1 UNL111111111 0.1328 26 H -4.9753 -1.6168 -0.5035 H 1 UNL111111111 0.1413 27 H -4.9491 -1.1564 1.2022 H 1 UNL111111111 0.1435 28 H -6.0005 -0.2977 0.0713 H 1 UNL111111111 0.1407 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 5 6 1 6 6 7 1 7 3 6 1 8 6 8 1 9 8 9 1 10 9 10 1 11 10 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 8 18 1 19 8 19 1 20 9 20 1 21 9 21 1 22 10 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1