@MOLECULE (1s)-1-(7-amino-2h-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-5-s-methyl-5-thio-d-ribitol 35 37 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.3157 -3.1200 0.5391 S.3 1 UNL111111111 0.0099 2 O 1.8181 -0.3289 -1.0503 O.3 1 UNL111111111 -0.4139 3 O 2.4946 2.7998 -0.6087 O.3 1 UNL111111111 -0.5496 4 O 3.9692 1.2178 0.7591 O.3 1 UNL111111111 -0.5402 5 N -1.0167 0.2651 -2.1431 N.ar 1 UNL111111111 -0.0959 6 N -2.3040 0.0170 -1.8712 N.ar 1 UNL111111111 -0.2104 7 N -1.0854 1.0819 1.3501 N.ar 1 UNL111111111 -0.4776 8 N -3.4304 0.5660 1.6427 N.ar 1 UNL111111111 -0.5747 9 N -4.8166 -0.1879 -0.0707 N.pl3 1 UNL111111111 -0.5603 10 C 1.7218 1.8073 0.0274 C.3 1 UNL111111111 0.0657 11 C 2.6212 0.8491 0.8575 C.3 1 UNL111111111 0.0586 12 C 1.1702 0.9361 -1.1195 C.3 1 UNL111111111 0.0921 13 C 2.3851 -0.5493 0.2380 C.3 1 UNL111111111 0.0739 14 C -0.2923 0.7035 -1.0419 C.ar 1 UNL111111111 -0.0695 15 C 1.4599 -1.3889 1.1058 C.3 1 UNL111111111 -0.3864 16 C -1.2061 0.7426 0.0293 C.ar 1 UNL111111111 0.1074 17 C -2.4652 0.2968 -0.5449 C.ar 1 UNL111111111 -0.1696 18 C -3.5901 0.2245 0.3487 C.ar 1 UNL111111111 0.4635 19 C 0.2298 -2.9993 -0.9119 C.3 1 UNL111111111 -0.4994 20 C -2.1931 0.9782 2.0780 C.ar 1 UNL111111111 0.2864 21 H 0.9378 2.3041 0.6366 H 1 UNL111111111 0.1718 22 H 1.4870 1.3438 -2.1137 H 1 UNL111111111 0.1747 23 H 2.4244 0.9012 1.9464 H 1 UNL111111111 0.1643 24 H 3.3454 -1.0642 0.0027 H 1 UNL111111111 0.1668 25 H 0.4566 -0.9238 1.1714 H 1 UNL111111111 0.1828 26 H 1.8417 -1.4398 2.1457 H 1 UNL111111111 0.1770 27 H 3.0335 3.2854 0.0557 H 1 UNL111111111 0.3338 28 H 4.2453 1.2821 -0.1856 H 1 UNL111111111 0.3311 29 H -0.6751 0.1030 -3.0765 H 1 UNL111111111 0.3393 30 H 0.1415 -3.9953 -1.3605 H 1 UNL111111111 0.1691 31 H 0.6408 -2.3168 -1.6651 H 1 UNL111111111 0.1722 32 H -0.7731 -2.6533 -0.6444 H 1 UNL111111111 0.1586 33 H -2.1394 1.2426 3.1483 H 1 UNL111111111 0.1980 34 H -4.9697 -0.4378 -1.0272 H 1 UNL111111111 0.3246 35 H -5.5860 -0.2250 0.5709 H 1 UNL111111111 0.3255 @BOND 1 1 15 1 2 1 19 1 3 2 12 1 4 2 13 1 5 3 10 1 6 3 27 1 7 4 11 1 8 4 28 1 9 5 6 ar 10 5 14 ar 11 5 29 1 12 6 17 ar 13 7 16 ar 14 7 20 ar 15 8 18 ar 16 8 20 ar 17 9 18 1 18 9 34 1 19 9 35 1 20 10 11 1 21 10 12 1 22 10 21 1 23 11 13 1 24 11 23 1 25 12 14 1 26 12 22 1 27 13 15 1 28 13 24 1 29 14 16 ar 30 15 25 1 31 15 26 1 32 16 17 ar 33 17 18 ar 34 19 30 1 35 19 31 1 36 19 32 1 37 20 33 1