@MOLECULE (5s)-3-allyl-5-isobutyl-2-thioxo-4-imidazolidinone 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.9143 -2.1889 0.2479 S.2 1 UNL1111111111 -0.4197 2 O 0.0736 2.4013 0.6495 O.2 1 UNL1111111111 -0.4318 3 N 0.5324 -1.0826 0.3910 N.am 1 UNL1111111111 -0.5438 4 N -1.1235 0.4228 0.5381 N.am 1 UNL1111111111 -0.4974 5 C 1.2294 0.2229 0.4148 C.3 1 UNL1111111111 -0.0134 6 C 2.0314 0.5062 -0.8561 C.3 1 UNL1111111111 -0.3170 7 C 3.4934 0.0234 -0.7919 C.3 1 UNL1111111111 -0.0510 8 C 0.0501 1.2089 0.5440 C.2 1 UNL1111111111 0.5309 9 C -0.8404 -0.9440 0.3756 C.2 1 UNL1111111111 0.4673 10 C 4.2852 0.7873 0.2738 C.3 1 UNL1111111111 -0.4563 11 C 3.5875 -1.4856 -0.5490 C.3 1 UNL1111111111 -0.4591 12 C -2.4718 0.9963 0.5396 C.3 1 UNL1111111111 -0.0505 13 C -2.9770 1.1733 -0.8655 C.2 1 UNL1111111111 -0.1677 14 C -4.1576 0.7048 -1.2634 C.2 1 UNL1111111111 -0.2745 15 H 1.8764 0.2812 1.3294 H 1 UNL1111111111 0.1893 16 H 1.5304 0.0537 -1.7357 H 1 UNL1111111111 0.1597 17 H 2.0285 1.6024 -1.0503 H 1 UNL1111111111 0.1708 18 H 3.9539 0.2440 -1.7907 H 1 UNL1111111111 0.1367 19 H 1.0186 -1.9197 0.1170 H 1 UNL1111111111 0.3479 20 H 3.9417 0.5622 1.2889 H 1 UNL1111111111 0.1453 21 H 4.2075 1.8718 0.1325 H 1 UNL1111111111 0.1505 22 H 5.3501 0.5297 0.2326 H 1 UNL1111111111 0.1473 23 H 3.2675 -1.7605 0.4618 H 1 UNL1111111111 0.1464 24 H 4.6230 -1.8335 -0.6540 H 1 UNL1111111111 0.1498 25 H 2.9875 -2.0499 -1.2712 H 1 UNL1111111111 0.1451 26 H -2.4280 1.9905 1.0566 H 1 UNL1111111111 0.1695 27 H -3.1483 0.3489 1.1510 H 1 UNL1111111111 0.1729 28 H -2.3082 1.7211 -1.5269 H 1 UNL1111111111 0.1521 29 H -4.5418 0.8363 -2.2644 H 1 UNL1111111111 0.1477 30 H -4.8296 0.1425 -0.6302 H 1 UNL1111111111 0.1532 @BOND 1 1 9 2 2 2 8 2 3 3 5 1 4 3 9 1 5 3 19 1 6 4 8 am 7 4 9 1 8 4 12 1 9 5 6 1 10 5 8 1 11 5 15 1 12 6 7 1 13 6 16 1 14 6 17 1 15 7 10 1 16 7 11 1 17 7 18 1 18 10 20 1 19 10 21 1 20 10 22 1 21 11 23 1 22 11 24 1 23 11 25 1 24 12 13 1 25 12 26 1 26 12 27 1 27 13 14 2 28 13 28 1 29 14 29 1 30 14 30 1