@MOLECULE (3r)-7-[(4,6-dimethoxy-2-pyrimidinyl)sulfanyl]-3-methyl-2-benzofuran-1(3h)-one 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.4416 -2.1923 -0.0414 S.3 1 UNL111111111 0.2036 2 O 2.3378 0.9826 1.9820 O.3 1 UNL111111111 -0.4052 3 O 0.3379 0.0355 2.2518 O.2 1 UNL111111111 -0.3964 4 O -1.1454 2.6405 -1.3126 O.3 1 UNL111111111 -0.2698 5 O -4.7855 0.2220 0.3400 O.3 1 UNL111111111 -0.2776 6 N -0.8489 0.4033 -0.7089 N.ar 1 UNL111111111 -0.6027 7 N -2.7181 -0.8423 0.1308 N.ar 1 UNL111111111 -0.5583 8 C 3.4869 0.8711 1.1112 C.3 1 UNL111111111 0.1247 9 C 3.1130 -0.1936 0.1136 C.ar 1 UNL111111111 -0.0352 10 C 1.8152 -0.6455 0.4099 C.ar 1 UNL111111111 -0.1428 11 C 1.2003 -1.5988 -0.3774 C.ar 1 UNL111111111 -0.0314 12 C 1.3430 0.0908 1.6090 C.2 1 UNL111111111 0.5885 13 C 3.7174 2.2330 0.4801 C.3 1 UNL111111111 -0.4635 14 C 3.8240 -0.7119 -0.9501 C.ar 1 UNL111111111 -0.1569 15 C 1.9121 -2.1311 -1.4595 C.ar 1 UNL111111111 -0.1429 16 C 3.2076 -1.6965 -1.7330 C.ar 1 UNL111111111 -0.1126 17 C -1.4228 -0.7172 -0.2196 C.ar 1 UNL111111111 0.3449 18 C -1.6480 1.4964 -0.8336 C.ar 1 UNL111111111 0.4776 19 C -3.4924 0.2699 -0.0027 C.ar 1 UNL111111111 0.4719 20 C -3.0098 1.4932 -0.4928 C.ar 1 UNL111111111 -0.4718 21 C 0.2546 2.6527 -1.6130 C.3 1 UNL111111111 -0.1875 22 C -5.2623 -1.0171 0.8809 C.3 1 UNL111111111 -0.1834 23 H 4.3195 0.5649 1.7837 H 1 UNL111111111 0.1531 24 H 3.7502 3.0176 1.2511 H 1 UNL111111111 0.1725 25 H 4.6623 2.2629 -0.0737 H 1 UNL111111111 0.1532 26 H 2.9107 2.5035 -0.2144 H 1 UNL111111111 0.1620 27 H 4.8281 -0.3679 -1.1822 H 1 UNL111111111 0.1580 28 H 1.4561 -2.8819 -2.1080 H 1 UNL111111111 0.1701 29 H 3.7485 -2.1206 -2.5787 H 1 UNL111111111 0.1519 30 H -3.6359 2.3695 -0.5896 H 1 UNL111111111 0.2116 31 H 0.8377 2.4748 -0.7031 H 1 UNL111111111 0.1458 32 H 0.3927 3.6724 -1.9925 H 1 UNL111111111 0.1516 33 H 0.4961 1.9012 -2.3722 H 1 UNL111111111 0.1472 34 H -4.7112 -1.2756 1.7927 H 1 UNL111111111 0.1545 35 H -5.1690 -1.8193 0.1415 H 1 UNL111111111 0.1479 36 H -6.3109 -0.7790 1.0933 H 1 UNL111111111 0.1471 @BOND 1 1 11 1 2 1 17 1 3 2 8 1 4 2 12 1 5 3 12 2 6 4 18 1 7 4 21 1 8 5 19 1 9 5 22 1 10 6 17 ar 11 6 18 ar 12 7 17 ar 13 7 19 ar 14 8 9 1 15 8 13 1 16 8 23 1 17 9 10 ar 18 9 14 ar 19 10 11 ar 20 10 12 1 21 11 15 ar 22 13 24 1 23 13 25 1 24 13 26 1 25 14 16 ar 26 14 27 1 27 15 16 ar 28 15 28 1 29 16 29 1 30 18 20 ar 31 19 20 ar 32 20 30 1 33 21 31 1 34 21 32 1 35 21 33 1 36 22 34 1 37 22 35 1 38 22 36 1