@MOLECULE (2S,3R)-2-isopropyl-3-pentyl-oxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.1376 0.7866 0.4841 C.3 1 UNL11111111 -0.4409 2 C 4.0292 -0.2463 0.2807 C.3 1 UNL11111111 -0.2491 3 C 2.7097 0.4364 -0.1031 C.3 1 UNL11111111 -0.2715 4 C 1.5947 -0.6003 -0.2818 C.3 1 UNL11111111 -0.2648 5 C 0.2714 0.0883 -0.6423 C.3 1 UNL11111111 -0.2966 6 C -0.8211 -0.9386 -0.7863 C.3 1 UNL11111111 0.0001 7 H -0.6443 -1.6804 -1.5743 H 1 UNL11111111 0.1465 8 O -1.3178 -1.5113 0.4286 O.3 1 UNL11111111 -0.3589 9 C -2.2235 -0.6986 -0.3247 C.3 1 UNL11111111 -0.0142 10 H -3.0370 -1.2615 -0.7948 H 1 UNL11111111 0.1478 11 C -2.6533 0.5892 0.3471 C.3 1 UNL11111111 -0.0851 12 C -2.9035 1.6618 -0.7172 C.3 1 UNL11111111 -0.4509 13 C -3.9177 0.3351 1.1750 C.3 1 UNL11111111 -0.4493 14 H 4.8773 1.5044 1.2699 H 1 UNL11111111 0.1426 15 H 6.0783 0.3072 0.7758 H 1 UNL11111111 0.1404 16 H 5.3285 1.3554 -0.4320 H 1 UNL11111111 0.1406 17 H 4.3244 -0.9692 -0.5029 H 1 UNL11111111 0.1333 18 H 3.8927 -0.8403 1.2045 H 1 UNL11111111 0.1370 19 H 2.4256 1.1690 0.6755 H 1 UNL11111111 0.1376 20 H 2.8428 1.0183 -1.0336 H 1 UNL11111111 0.1342 21 H 1.8730 -1.3319 -1.0623 H 1 UNL11111111 0.1372 22 H 1.4633 -1.1868 0.6498 H 1 UNL11111111 0.1514 23 H 0.0187 0.8330 0.1389 H 1 UNL11111111 0.1537 24 H 0.3752 0.6607 -1.5848 H 1 UNL11111111 0.1465 25 H -1.8434 0.9351 1.0392 H 1 UNL11111111 0.1494 26 H -3.2129 2.6079 -0.2592 H 1 UNL11111111 0.1471 27 H -2.0003 1.8587 -1.3056 H 1 UNL11111111 0.1449 28 H -3.6928 1.3619 -1.4151 H 1 UNL11111111 0.1469 29 H -3.7511 -0.4656 1.9071 H 1 UNL11111111 0.1541 30 H -4.2160 1.2316 1.7286 H 1 UNL11111111 0.1455 31 H -4.7640 0.0382 0.5468 H 1 UNL11111111 0.1444 @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 9 10 1 10 6 9 1 11 9 11 1 12 11 12 1 13 11 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1