@MOLECULE 5-formamido-1-(2,3,5-tri-o-formyl-beta-d-ribofuranosyl)-1h-imidazole-4-carbothioamide 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.0196 -0.0295 -0.8733 S.2 1 UNL1111 -0.5049 2 O 1.5060 0.4817 1.4171 O.3 1 UNL1111 -0.3678 3 O 0.6487 -2.4676 -0.0973 O.3 1 UNL1111 -0.4505 4 O 3.1002 -1.8708 0.3991 O.3 1 UNL1111 -0.4255 5 O 2.5746 2.8390 0.4520 O.3 1 UNL1111 -0.4224 6 O 1.8529 -3.0665 -1.8941 O.2 1 UNL1111 -0.4570 7 O 5.1492 -1.1149 -0.1238 O.2 1 UNL1111 -0.4698 8 O 3.1565 4.1663 -1.2651 O.2 1 UNL1111 -0.4740 9 O -3.4551 -3.1876 0.7836 O.2 1 UNL1111 -0.4688 10 N -0.6921 0.4457 0.7209 N.ar 1 UNL1111 -0.4150 11 N -1.9604 2.2605 0.3845 N.ar 1 UNL1111 -0.3764 12 N -2.2176 -1.3857 0.3668 N.am 1 UNL1111 -0.5852 13 N -4.5902 2.5301 -0.4427 N.am 1 UNL1111 -0.5106 14 C 0.9774 -1.1118 -0.2967 C.3 1 UNL1111 0.0357 15 C 2.4950 -0.8086 -0.3188 C.3 1 UNL1111 0.0466 16 C 0.4814 -0.3814 0.9909 C.3 1 UNL1111 0.2524 17 C 2.5892 0.5024 0.4853 C.3 1 UNL1111 0.0353 18 C 2.4741 1.7223 -0.4292 C.3 1 UNL1111 -0.0751 19 C -1.9756 -0.0265 0.3795 C.ar 1 UNL1111 0.3098 20 C -0.7414 1.8533 0.7115 C.ar 1 UNL1111 0.1392 21 C -2.7521 1.1234 0.1443 C.ar 1 UNL1111 -0.1320 22 C 1.1756 -3.3863 -0.9614 C.2 1 UNL1111 0.5258 23 C 4.4574 -1.9447 0.3954 C.2 1 UNL1111 0.5065 24 C -4.1011 1.2732 -0.3642 C.2 1 UNL1111 0.3674 25 C 2.9307 4.0276 -0.0951 C.2 1 UNL1111 0.4992 26 C -3.3962 -1.9872 0.8734 C.2 1 UNL1111 0.5244 27 H 0.4812 -0.7661 -1.2307 H 1 UNL1111 0.1695 28 H 2.9299 -0.7636 -1.3401 H 1 UNL1111 0.1819 29 H 0.2784 -1.0786 1.8465 H 1 UNL1111 0.1873 30 H 3.4848 0.5636 1.1461 H 1 UNL1111 0.1888 31 H 3.2885 1.7519 -1.1822 H 1 UNL1111 0.1691 32 H 1.4989 1.7923 -0.9437 H 1 UNL1111 0.1485 33 H 0.1115 2.4716 0.9626 H 1 UNL1111 0.2155 34 H -1.4923 -1.9966 -0.0104 H 1 UNL1111 0.3338 35 H 0.8383 -4.3659 -0.6228 H 1 UNL1111 0.1700 36 H 4.7334 -2.8468 0.9409 H 1 UNL1111 0.1616 37 H 2.9570 4.7619 0.7095 H 1 UNL1111 0.1568 38 H -4.1299 -1.3346 1.3561 H 1 UNL1111 0.1705 39 H -4.0254 3.3241 -0.1817 H 1 UNL1111 0.3201 40 H -5.5031 2.7171 -0.8186 H 1 UNL1111 0.3192 @BOND 1 1 24 2 2 2 16 1 3 2 17 1 4 3 14 1 5 3 22 1 6 4 15 1 7 4 23 1 8 5 18 1 9 5 25 1 10 6 22 2 11 7 23 2 12 8 25 2 13 9 26 2 14 10 16 1 15 10 19 ar 16 10 20 ar 17 11 20 ar 18 11 21 ar 19 12 19 1 20 12 26 am 21 12 34 1 22 13 24 1 23 13 39 1 24 13 40 1 25 14 15 1 26 14 16 1 27 14 27 1 28 15 17 1 29 15 28 1 30 16 29 1 31 17 18 1 32 17 30 1 33 18 31 1 34 18 32 1 35 19 21 ar 36 20 33 1 37 21 24 1 38 22 35 1 39 23 36 1 40 25 37 1 41 26 38 1