@MOLECULE (2s)-2-amino-4-({[(2s,3s,4r)-5-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}sulfanyl)butanoic acid 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 S1 -0.0829 -3.0445 0.5539 S.3 1 <1> -0.0055 2 O1 1.9067 -1.1310 -0.9757 O.3 1 <1> -0.4234 3 O2 4.6706 0.4880 -0.8022 O.3 1 <1> -0.5149 4 O3 4.4955 -1.3107 1.0095 O.3 1 <1> -0.5365 5 O4 -1.9642 -0.1547 0.9136 O.3 1 <1> -0.5612 6 O5 -3.9258 0.2418 -0.0672 O.2 1 <1> -0.5220 7 N1 1.1525 1.0586 -1.1493 N.ar 1 <1> -0.3946 8 N2 -0.7982 1.9333 -1.9305 N.ar 1 <1> -0.3339 9 N3 -1.0560 3.3344 1.5446 N.ar 1 <1> -0.5296 10 N4 -2.5918 3.6863 -0.1777 N.pl3 1 <1> -0.5414 11 N5 -4.5868 -2.5002 0.0362 N.3 1 <1> -0.6289 12 C1 3.4254 0.5282 -0.1710 C.3 1 <1> 0.0386 13 C2 3.2914 -0.5875 0.9018 C.3 1 <1> 0.0361 14 C3 2.3192 0.1939 -1.2066 C.3 1 <1> 0.2355 15 C4 2.2672 -1.5947 0.3262 C.3 1 <1> 0.0988 16 C5 1.0172 -1.7209 1.1785 C.3 1 <1> -0.3803 17 C6 0.5838 1.7444 -0.0778 C.ar 1 <1> 0.2012 18 C7 0.2491 1.1879 -2.2463 C.ar 1 <1> 0.1347 19 C8 -0.6295 2.3054 -0.5949 C.ar 1 <1> -0.1795 20 C9 -0.8813 -2.2415 -0.8942 C.3 1 <1> -0.3215 21 C10 0.9501 1.9781 1.2527 C.ar 1 <1> -0.4230 22 C11 -2.3622 -2.5769 -0.9752 C.3 1 <1> -0.2701 23 C12 -1.4358 3.1148 0.2504 C.ar 1 <1> 0.4337 24 C13 -3.1923 -2.0734 0.2243 C.3 1 <1> 0.0053 25 C14 0.0912 2.7878 1.9976 C.ar 1 <1> 0.1686 26 C15 -3.1045 -0.5538 0.3087 C.2 1 <1> 0.5817 27 H1 3.3737 1.5645 0.2232 H 1 <1> 0.1778 28 H2 3.0188 -0.1979 1.9014 H 1 <1> 0.1420 29 H3 2.7128 0.1846 -2.2595 H 1 <1> 0.1751 30 H4 2.7578 -2.5803 0.1237 H 1 <1> 0.1787 31 H5 0.4615 -0.7621 1.2322 H 1 <1> 0.1850 32 H6 1.2748 -1.9927 2.2212 H 1 <1> 0.1772 33 H7 4.9272 -0.4435 -1.0204 H 1 <1> 0.3351 34 H8 5.2302 -0.7170 1.2862 H 1 <1> 0.3302 35 H9 0.4448 0.7285 -3.2031 H 1 <1> 0.1974 36 H10 -0.3577 -2.5821 -1.8075 H 1 <1> 0.1642 37 H11 -0.7181 -1.1467 -0.8494 H 1 <1> 0.1729 38 H12 1.8407 1.5701 1.6999 H 1 <1> 0.1699 39 H13 -2.5199 -3.6762 -1.0620 H 1 <1> 0.1745 40 H14 -2.7776 -2.1578 -1.9178 H 1 <1> 0.1549 41 H15 -2.8081 -2.5248 1.1816 H 1 <1> 0.1914 42 H16 0.3131 3.0247 3.0495 H 1 <1> 0.1744 43 H17 -2.9569 3.4488 -1.0830 H 1 <1> 0.3308 44 H18 -3.1755 4.1907 0.4612 H 1 <1> 0.3213 45 H19 -5.1573 -2.3111 0.8450 H 1 <1> 0.2577 46 H20 -5.0140 -2.0670 -0.7706 H 1 <1> 0.2635 47 H21 -1.8453 0.8297 0.9255 H 1 <1> 0.3580 @BOND 1 1 16 1 2 1 20 1 3 2 14 1 4 2 15 1 5 3 12 1 6 3 33 1 7 4 13 1 8 4 34 1 9 5 26 1 10 5 47 1 11 6 26 2 12 7 14 1 13 7 17 ar 14 7 18 ar 15 8 18 ar 16 8 19 ar 17 9 23 ar 18 9 25 ar 19 10 23 1 20 10 43 1 21 10 44 1 22 11 24 1 23 11 45 1 24 11 46 1 25 12 13 1 26 12 14 1 27 12 27 1 28 13 15 1 29 13 28 1 30 14 29 1 31 15 16 1 32 15 30 1 33 16 31 1 34 16 32 1 35 17 19 ar 36 17 21 ar 37 18 35 1 38 19 23 ar 39 20 22 1 40 20 36 1 41 20 37 1 42 21 25 ar 43 21 38 1 44 22 24 1 45 22 39 1 46 22 40 1 47 24 26 1 48 24 41 1 49 25 42 1