@MOLECULE 5-allyl-5-[(2r)-2-pentanyl]-2-thioxodihydro-4,6(1h,5h)-pyrimidinedione 35 35 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.4376 2.0911 -0.1519 S.2 1 UNL111111111 -0.3675 2 O -0.8860 -1.7818 -1.7049 O.2 1 UNL111111111 -0.4258 3 O 0.3968 0.2776 2.2961 O.2 1 UNL111111111 -0.4334 4 N -1.9796 0.0009 -0.9129 N.am 1 UNL111111111 -0.5886 5 N -1.3304 1.0474 1.0955 N.am 1 UNL111111111 -0.5847 6 C 0.2795 -0.5583 0.0290 C.3 1 UNL111111111 -0.1349 7 C 1.3038 0.3244 -0.7709 C.3 1 UNL111111111 -0.0736 8 C 2.4886 0.7193 0.1256 C.3 1 UNL111111111 -0.2924 9 C 0.9039 -1.8798 0.5075 C.3 1 UNL111111111 -0.2717 10 C 1.7971 -0.3952 -2.0263 C.3 1 UNL111111111 -0.4593 11 C -0.8686 -0.8777 -0.9115 C.2 1 UNL111111111 0.5683 12 C -0.1783 0.2378 1.2385 C.2 1 UNL111111111 0.5624 13 C 3.4825 1.6364 -0.6004 C.3 1 UNL111111111 -0.2433 14 C -0.1107 -2.7924 1.1216 C.2 1 UNL111111111 -0.1520 15 C -2.1986 1.0092 0.0119 C.2 1 UNL111111111 0.4765 16 C 4.6063 2.0482 0.3499 C.3 1 UNL111111111 -0.4417 17 C -0.3826 -3.9947 0.6168 C.2 1 UNL111111111 -0.2848 18 H 0.7710 1.2581 -1.0838 H 1 UNL111111111 0.1470 19 H 3.0188 -0.1840 0.4852 H 1 UNL111111111 0.1486 20 H 2.1318 1.2314 1.0410 H 1 UNL111111111 0.1566 21 H 1.7085 -1.6722 1.2501 H 1 UNL111111111 0.1761 22 H 1.4049 -2.3746 -0.3539 H 1 UNL111111111 0.1726 23 H 2.3681 0.2887 -2.6684 H 1 UNL111111111 0.1560 24 H 0.9821 -0.7890 -2.6469 H 1 UNL111111111 0.1651 25 H 2.4558 -1.2396 -1.7863 H 1 UNL111111111 0.1547 26 H 2.9652 2.5313 -0.9927 H 1 UNL111111111 0.1357 27 H 3.9147 1.1210 -1.4792 H 1 UNL111111111 0.1363 28 H -2.6953 -0.1597 -1.6390 H 1 UNL111111111 0.3586 29 H -1.5513 1.6833 1.8694 H 1 UNL111111111 0.3573 30 H -0.5954 -2.4111 2.0194 H 1 UNL111111111 0.1503 31 H 4.2204 2.5991 1.2196 H 1 UNL111111111 0.1472 32 H 5.1504 1.1757 0.7295 H 1 UNL111111111 0.1441 33 H 5.3331 2.6964 -0.1509 H 1 UNL111111111 0.1423 34 H -1.1027 -4.6733 1.0470 H 1 UNL111111111 0.1470 35 H 0.0816 -4.3896 -0.2759 H 1 UNL111111111 0.1507 @BOND 1 1 15 2 2 2 11 2 3 3 12 2 4 4 11 am 5 4 15 1 6 4 28 1 7 5 12 am 8 5 15 1 9 5 29 1 10 6 7 1 11 6 9 1 12 6 11 1 13 6 12 1 14 7 8 1 15 7 10 1 16 7 18 1 17 8 13 1 18 8 19 1 19 8 20 1 20 9 14 1 21 9 21 1 22 9 22 1 23 10 23 1 24 10 24 1 25 10 25 1 26 13 16 1 27 13 26 1 28 13 27 1 29 14 17 2 30 14 30 1 31 16 31 1 32 16 32 1 33 16 33 1 34 17 34 1 35 17 35 1