@MOLECULE (2R,3R)-2,3-diisopentyloxirane 37 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.4489 -0.1345 0.4790 C.3 1 UNL11111111 0.2863 2 C 4.8800 -1.1648 -0.5708 C.3 1 UNL11111111 -0.9712 3 C 5.5574 0.9088 0.6736 C.3 1 UNL11111111 -0.9832 4 C 3.1437 0.5696 0.0591 C.3 1 UNL11111111 -0.5869 5 C 1.9304 -0.3557 0.2106 C.3 1 UNL11111111 -0.2699 6 C 0.6481 0.3657 -0.1162 C.3 1 UNL11111111 -0.1926 7 H 0.6573 1.4486 0.0348 H 1 UNL11111111 0.1873 8 O -0.0048 -0.0384 -1.3253 O.3 1 UNL11111111 -0.1388 9 C -0.6490 -0.3776 -0.0918 C.3 1 UNL11111111 -0.2296 10 H -0.6571 -1.4510 0.1170 H 1 UNL11111111 0.2184 11 C -1.9289 0.3602 0.2055 C.3 1 UNL11111111 -0.1713 12 C -3.1448 -0.5658 0.0805 C.3 1 UNL11111111 -0.6197 13 C -4.4484 0.1554 0.4747 C.3 1 UNL11111111 0.2990 14 C -4.8703 1.1569 -0.6063 C.3 1 UNL11111111 -0.9506 15 C -5.5624 -0.8769 0.6950 C.3 1 UNL11111111 -1.0093 16 H 4.2808 -0.6584 1.4505 H 1 UNL11111111 0.1416 17 H 5.8036 -1.6724 -0.2735 H 1 UNL11111111 0.2732 18 H 4.1139 -1.9338 -0.7167 H 1 UNL11111111 0.2692 19 H 5.0611 -0.6940 -1.5434 H 1 UNL11111111 0.2786 20 H 5.7311 1.4843 -0.2418 H 1 UNL11111111 0.2656 21 H 5.3048 1.6172 1.4694 H 1 UNL11111111 0.2543 22 H 6.5055 0.4334 0.9467 H 1 UNL11111111 0.2855 23 H 3.0003 1.4791 0.6726 H 1 UNL11111111 0.2248 24 H 3.2228 0.9195 -0.9877 H 1 UNL11111111 0.2369 25 H 2.0448 -1.2393 -0.4523 H 1 UNL11111111 0.1781 26 H 1.8827 -0.7557 1.2430 H 1 UNL11111111 0.1870 27 H -1.8830 0.7937 1.2244 H 1 UNL11111111 0.1554 28 H -2.0377 1.2217 -0.4868 H 1 UNL11111111 0.1341 29 H -3.2221 -0.9499 -0.9543 H 1 UNL11111111 0.2504 30 H -3.0056 -1.4564 0.7221 H 1 UNL11111111 0.2447 31 H -4.2819 0.7067 1.4313 H 1 UNL11111111 0.1254 32 H -5.7966 1.6722 -0.3316 H 1 UNL11111111 0.2536 33 H -4.1029 1.9221 -0.7653 H 1 UNL11111111 0.2453 34 H -5.0419 0.6599 -1.5676 H 1 UNL11111111 0.2810 35 H -5.3167 -1.5622 1.5127 H 1 UNL11111111 0.2777 36 H -6.5098 -0.3897 0.9489 H 1 UNL11111111 0.2832 37 H -5.7341 -1.4782 -0.2041 H 1 UNL11111111 0.2867 @BOND 1 1 2 1 2 1 3 1 3 1 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 12 13 1 14 13 14 1 15 13 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 14 34 1 35 15 35 1 36 15 36 1 37 15 37 1