@MOLECULE (2R,3S)-2-ethyl-3-isobutyl-oxirane 25 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.7667 -0.5511 -0.4047 C.3 1 UNL11111111 -0.4328 2 C 2.2596 -0.7516 -0.2529 C.3 1 UNL11111111 -0.2744 3 C 1.6443 0.3564 0.5642 C.3 1 UNL11111111 -0.0010 4 H 2.3104 0.8182 1.3003 H 1 UNL11111111 0.1496 5 O 0.8526 1.3014 -0.1645 O.3 1 UNL11111111 -0.3627 6 C 0.1642 0.4533 0.7614 C.3 1 UNL11111111 0.0000 7 H -0.2212 0.9872 1.6371 H 1 UNL11111111 0.1482 8 C -0.7777 -0.5589 0.1645 C.3 1 UNL11111111 -0.3161 9 C -2.2441 -0.0943 0.2680 C.3 1 UNL11111111 -0.0496 10 C -2.5005 1.0768 -0.6852 C.3 1 UNL11111111 -0.4552 11 C -3.1810 -1.2625 -0.0622 C.3 1 UNL11111111 -0.4572 12 H 3.9929 0.4206 -0.8621 H 1 UNL11111111 0.1522 13 H 4.2814 -0.5900 0.5616 H 1 UNL11111111 0.1419 14 H 4.2076 -1.3239 -1.0444 H 1 UNL11111111 0.1436 15 H 1.7847 -0.7892 -1.2564 H 1 UNL11111111 0.1578 16 H 2.0486 -1.7312 0.2206 H 1 UNL11111111 0.1447 17 H -0.5238 -0.7445 -0.8992 H 1 UNL11111111 0.1609 18 H -0.6503 -1.5309 0.6806 H 1 UNL11111111 0.1475 19 H -2.4465 0.2400 1.3142 H 1 UNL11111111 0.1278 20 H -1.7981 1.8998 -0.4991 H 1 UNL11111111 0.1556 21 H -2.3724 0.7802 -1.7320 H 1 UNL11111111 0.1471 22 H -3.5152 1.4706 -0.5727 H 1 UNL11111111 0.1411 23 H -3.0431 -2.0971 0.6327 H 1 UNL11111111 0.1397 24 H -4.2306 -0.9549 -0.0021 H 1 UNL11111111 0.1450 25 H -3.0092 -1.6410 -1.0757 H 1 UNL11111111 0.1461 @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 9 11 1 12 1 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 8 17 1 18 8 18 1 19 9 19 1 20 10 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 11 25 1