@MOLECULE 9-(2-deoxy-beta-d-threo-pentofuranosyl)-9h-purin-6-amine 31 33 0 0 0 SMALL GASTEIGER @ATOM 1 O4* 2.3550 -0.2306 -1.0947 O.3 1 A1111 -0.4385 2 O3* 1.4046 1.3330 1.6734 O.3 1 A1111 -0.5402 3 O5* 3.4606 -2.0793 0.9341 O.3 1 A1111 -0.5338 4 N9 0.0624 -0.0831 -1.0943 N.ar 1 A1111 -0.4029 5 N7 -1.2104 -1.9167 -0.6213 N.ar 1 A1111 -0.3350 6 N3 -1.5152 1.6649 -0.2726 N.ar 1 A1111 -0.5335 7 N1 -3.5640 0.7352 0.6170 N.ar 1 A1111 -0.5673 8 N6 -4.0054 -1.5589 0.7182 N.pl3 1 A1111 -0.5433 9 C1* 1.3001 0.6310 -1.4579 C.3 1 A1111 0.3229 10 C3* 2.2692 1.4890 0.5806 C.3 1 A1111 0.1321 11 C2* 1.5231 1.9356 -0.6875 C.3 1 A1111 -0.4123 12 C4* 2.8996 0.1314 0.1820 C.3 1 A1111 0.0046 13 C5* 2.5962 -0.9903 1.1746 C.3 1 A1111 -0.0265 14 C4 -1.1078 0.3919 -0.5200 C.ar 1 A1111 0.2787 15 C8 -0.0534 -1.5023 -1.1261 C.ar 1 A1111 0.1424 16 C5 -1.8991 -0.7719 -0.2289 C.ar 1 A1111 -0.2062 17 C6 -3.1687 -0.5504 0.3684 C.ar 1 A1111 0.4696 18 C2 -2.7390 1.7577 0.2893 C.ar 1 A1111 0.3034 19 H1* 1.3564 0.7109 -2.5713 H 1 A1111 0.1628 20 H3* 3.0109 2.2245 0.9531 H 1 A1111 0.1576 21 H2*1 0.5897 2.4880 -0.4432 H 1 A1111 0.2226 22 H2*2 2.1201 2.6454 -1.2859 H 1 A1111 0.1751 23 H4* 3.9910 0.2076 -0.0167 H 1 A1111 0.1619 24 H5*1 1.5475 -1.3312 1.1204 H 1 A1111 0.1314 25 H5*2 2.8323 -0.6922 2.2163 H 1 A1111 0.1677 26 H8 0.7317 -2.1258 -1.5305 H 1 A1111 0.2073 27 H3* 0.5414 0.9621 1.3886 H 1 A1111 0.3275 28 H5* 3.3071 -2.4331 0.0332 H 1 A1111 0.3154 29 H2 -3.1105 2.7751 0.5096 H 1 A1111 0.2033 30 H61 -3.7442 -2.5107 0.5394 H 1 A1111 0.3298 31 H62 -4.8956 -1.3640 1.1346 H 1 A1111 0.3237 @BOND 1 1 9 1 2 1 12 1 3 2 10 1 4 2 27 1 5 3 13 1 6 3 28 1 7 4 9 1 8 4 14 ar 9 4 15 ar 10 5 15 ar 11 5 16 ar 12 6 14 ar 13 6 18 ar 14 7 17 ar 15 7 18 ar 16 8 17 1 17 8 30 1 18 8 31 1 19 9 11 1 20 9 19 1 21 10 11 1 22 10 12 1 23 10 20 1 24 11 21 1 25 11 22 1 26 12 13 1 27 12 23 1 28 13 24 1 29 13 25 1 30 14 16 ar 31 15 26 1 32 16 17 ar 33 18 29 1