@MOLECULE 5-ethyl-5-[(2r)-2-pentanyl]-2-thioxodihydro-4,6(1h,5h)-pyrimidinedione 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 S -3.5075 1.7562 -0.3200 S.2 1 UNL11111111 -0.3686 2 O -0.8501 -2.1984 -1.4339 O.2 1 UNL11111111 -0.4346 3 O 0.3855 0.3484 2.2960 O.2 1 UNL11111111 -0.4326 4 N -1.9889 -0.3617 -0.8550 N.am 1 UNL11111111 -0.5881 5 N -1.3676 0.9195 1.0257 N.am 1 UNL11111111 -0.5892 6 C 0.2807 -0.7511 0.1416 C.3 1 UNL11111111 -0.1422 7 C 1.2698 0.0675 -0.7632 C.3 1 UNL11111111 -0.0748 8 C 2.4501 0.6009 0.0673 C.3 1 UNL11111111 -0.2930 9 C 0.9446 -1.9942 0.7594 C.3 1 UNL11111111 -0.2386 10 C -0.8580 -1.2069 -0.7517 C.2 1 UNL11111111 0.5699 11 C -0.1931 0.1637 1.2571 C.2 1 UNL11111111 0.5656 12 C 1.7785 -0.7766 -1.9330 C.3 1 UNL11111111 -0.4588 13 C 3.4050 1.4631 -0.7666 C.3 1 UNL11111111 -0.2432 14 C -0.0374 -2.8648 1.5404 C.3 1 UNL11111111 -0.4485 15 C -2.2368 0.7322 -0.0418 C.2 1 UNL11111111 0.4760 16 C 4.5167 2.0259 0.1202 C.3 1 UNL11111111 -0.4411 17 H 0.7055 0.9417 -1.1751 H 1 UNL11111111 0.1464 18 H 3.0091 -0.2371 0.5237 H 1 UNL11111111 0.1487 19 H 2.0821 1.2059 0.9214 H 1 UNL11111111 0.1565 20 H 1.7739 -1.6775 1.4285 H 1 UNL11111111 0.1641 21 H 1.4044 -2.5955 -0.0543 H 1 UNL11111111 0.1650 22 H 2.3441 -0.1580 -2.6415 H 1 UNL11111111 0.1555 23 H 0.9702 -1.2445 -2.5093 H 1 UNL11111111 0.1645 24 H 2.4459 -1.5805 -1.6016 H 1 UNL11111111 0.1551 25 H 2.8548 2.2839 -1.2504 H 1 UNL11111111 0.1357 26 H 3.8525 0.8649 -1.5846 H 1 UNL11111111 0.1365 27 H -0.5306 -2.3072 2.3481 H 1 UNL11111111 0.1522 28 H -0.8179 -3.2830 0.8947 H 1 UNL11111111 0.1562 29 H 0.4841 -3.7128 1.9994 H 1 UNL11111111 0.1551 30 H -2.7007 -0.6219 -1.5551 H 1 UNL11111111 0.3583 31 H -1.6172 1.6252 1.7370 H 1 UNL11111111 0.3591 32 H 4.1148 2.6574 0.9212 H 1 UNL11111111 0.1470 33 H 5.0965 1.2246 0.5931 H 1 UNL11111111 0.1439 34 H 5.2163 2.6362 -0.4595 H 1 UNL11111111 0.1421 @BOND 1 22 12 1 2 23 12 1 3 12 24 1 4 12 7 1 5 26 13 1 6 30 4 1 7 2 10 2 8 25 13 1 9 17 7 1 10 4 10 am 11 4 15 1 12 13 8 1 13 13 16 1 14 7 8 1 15 7 6 1 16 10 6 1 17 34 16 1 18 1 15 2 19 21 9 1 20 15 5 1 21 8 18 1 22 8 19 1 23 16 33 1 24 16 32 1 25 6 9 1 26 6 11 1 27 9 20 1 28 9 14 1 29 28 14 1 30 5 11 am 31 5 31 1 32 11 3 2 33 14 29 1 34 14 27 1