@MOLECULE 9-(5-s-isobutyl-5-thio-alpha-d-arabinofuranosyl)-9h-purin-6-amine 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.3648 -1.4862 -0.6970 S.3 1 UNL1111111111 -0.0287 2 O -1.3173 0.9873 -1.0740 O.3 1 UNL1111111111 -0.3884 3 O -1.2832 1.7025 2.3649 O.3 1 UNL1111111111 -0.5513 4 O -1.1897 4.0309 -0.1586 O.3 1 UNL1111111111 -0.5431 5 N 0.9633 1.3996 -1.0059 N.ar 1 UNL1111111111 -0.3853 6 N 2.7404 0.3197 -1.9541 N.ar 1 UNL1111111111 -0.3332 7 N 1.3037 0.6200 1.3444 N.ar 1 UNL1111111111 -0.5696 8 N 3.2416 -0.8056 1.5947 N.ar 1 UNL1111111111 -0.5631 9 N 4.6271 -1.4223 -0.1843 N.pl3 1 UNL1111111111 -0.5432 10 C -1.6977 1.9766 1.0625 C.3 1 UNL1111111111 0.0724 11 C -0.6421 2.8182 0.2995 C.3 1 UNL1111111111 0.0403 12 C -1.8138 0.6673 0.2339 C.3 1 UNL1111111111 0.0512 13 C -0.3662 2.0141 -0.9974 C.3 1 UNL1111111111 0.2612 14 C -3.2361 0.1857 0.0493 C.3 1 UNL1111111111 -0.3498 15 C 1.5950 0.7031 0.0185 C.ar 1 UNL1111111111 0.3036 16 C 1.6913 1.0961 -2.1945 C.ar 1 UNL1111111111 0.1493 17 C -2.3739 -2.5585 0.4189 C.3 1 UNL1111111111 -0.3347 18 C 2.7204 0.0467 -0.5874 C.ar 1 UNL1111111111 -0.2013 19 C -1.2109 -3.2363 -0.3186 C.3 1 UNL1111111111 -0.0451 20 C 3.5483 -0.7328 0.2609 C.ar 1 UNL1111111111 0.4698 21 C -0.0880 -2.2534 -0.6580 C.3 1 UNL1111111111 -0.4711 22 C -0.6510 -4.3578 0.5721 C.3 1 UNL1111111111 -0.4548 23 C 2.1638 -0.1395 2.0612 C.ar 1 UNL1111111111 0.3071 24 H -2.6585 2.5135 1.1896 H 1 UNL1111111111 0.1633 25 H 0.2634 3.0204 0.9088 H 1 UNL1111111111 0.1648 26 H -1.1397 -0.1123 0.6616 H 1 UNL1111111111 0.1573 27 H -0.5064 2.6198 -1.9304 H 1 UNL1111111111 0.1844 28 H -3.7888 0.8591 -0.6405 H 1 UNL1111111111 0.1832 29 H -3.7730 0.2018 1.0172 H 1 UNL1111111111 0.1699 30 H -0.3853 1.2760 2.3545 H 1 UNL1111111111 0.3533 31 H -1.3520 4.6378 0.5947 H 1 UNL1111111111 0.3305 32 H 1.3980 1.4929 -3.1555 H 1 UNL1111111111 0.2018 33 H -3.0662 -3.3229 0.8213 H 1 UNL1111111111 0.1589 34 H -2.0043 -1.9911 1.2896 H 1 UNL1111111111 0.1566 35 H -1.5837 -3.6940 -1.2694 H 1 UNL1111111111 0.1428 36 H 0.3528 -1.8133 0.2414 H 1 UNL1111111111 0.1384 37 H 0.7202 -2.7510 -1.2063 H 1 UNL1111111111 0.1475 38 H -0.4408 -1.4320 -1.2966 H 1 UNL1111111111 0.1661 39 H -0.2572 -3.9638 1.5150 H 1 UNL1111111111 0.1459 40 H 0.1704 -4.8811 0.0700 H 1 UNL1111111111 0.1466 41 H -1.4160 -5.1026 0.8118 H 1 UNL1111111111 0.1397 42 H 1.9634 -0.2310 3.1446 H 1 UNL1111111111 0.2025 43 H 4.8780 -1.3896 -1.1552 H 1 UNL1111111111 0.3298 44 H 5.1870 -1.9617 0.4478 H 1 UNL1111111111 0.3242 @BOND 1 1 14 1 2 1 17 1 3 2 12 1 4 2 13 1 5 3 10 1 6 3 30 1 7 4 11 1 8 4 31 1 9 5 13 1 10 5 15 ar 11 5 16 ar 12 6 16 ar 13 6 18 ar 14 7 15 ar 15 7 23 ar 16 8 20 ar 17 8 23 ar 18 9 20 1 19 9 43 1 20 9 44 1 21 10 11 1 22 10 12 1 23 10 24 1 24 11 13 1 25 11 25 1 26 12 14 1 27 12 26 1 28 13 27 1 29 14 28 1 30 14 29 1 31 15 18 ar 32 16 32 1 33 17 19 1 34 17 33 1 35 17 34 1 36 18 20 ar 37 19 21 1 38 19 22 1 39 19 35 1 40 21 36 1 41 21 37 1 42 21 38 1 43 22 39 1 44 22 40 1 45 22 41 1 46 23 42 1