@MOLECULE 5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.9132 -0.4772 -1.0832 S.O2 1 UNL1111 2.3273 2 N 6.3054 2.2099 1.0692 N.ar 1 UNL1111 -0.5693 3 C 6.2911 0.8595 1.1552 C.ar 1 UNL1111 0.3108 4 N 5.3327 0.0281 0.6892 N.ar 1 UNL1111 -0.5539 5 C 4.3089 0.6674 0.0608 C.ar 1 UNL1111 0.2707 6 C 4.2138 2.0888 -0.1071 C.ar 1 UNL1111 -0.1938 7 C 5.2740 2.8585 0.4441 C.ar 1 UNL1111 0.4737 8 N 5.3114 4.2123 0.3869 N.pl3 1 UNL1111 -0.5433 9 N 3.0620 2.3943 -0.8270 N.ar 1 UNL1111 -0.3393 10 C 2.4662 1.2364 -1.1008 C.ar 1 UNL1111 0.1461 11 N 3.1849 0.1400 -0.5563 N.ar 1 UNL1111 -0.3877 12 C 2.8756 -1.2859 -0.6602 C.3 1 UNL1111 0.2459 13 C -6.3612 1.3616 -0.0682 C.ar 1 UNL1111 0.2696 14 O -6.0476 2.1140 -1.1554 O.3 1 UNL1111 -0.4736 15 C -7.3757 1.8955 0.7338 C.ar 1 UNL1111 -0.2489 16 C -7.7642 1.1951 1.8680 C.ar 1 UNL1111 -0.0866 17 C -7.1515 -0.0177 2.1904 C.ar 1 UNL1111 -0.2242 18 C -6.1439 -0.5320 1.3799 C.ar 1 UNL1111 -0.1010 19 C -5.7274 0.1510 0.2352 C.ar 1 UNL1111 -0.1534 20 O -1.5685 0.2784 -2.2622 O.2 1 UNL1111 -0.9054 21 C 3.0917 -2.0259 0.6967 C.3 1 UNL1111 0.0340 22 O 4.2645 -2.7816 0.6433 O.3 1 UNL1111 -0.5480 23 C -4.6332 -0.4008 -0.6229 C.3 1 UNL1111 -0.2489 24 C -3.3171 0.3135 -0.3036 C.3 1 UNL1111 -0.5766 25 O -2.1463 -1.9020 -1.1199 O.2 1 UNL1111 -0.9189 26 C 1.8690 -2.9722 0.7776 C.3 1 UNL1111 0.0843 27 O 2.0790 -4.2277 0.1899 O.3 1 UNL1111 -0.5332 28 C 0.8126 -2.2307 -0.0697 C.3 1 UNL1111 0.0315 29 O 1.5135 -1.3879 -0.9922 O.3 1 UNL1111 -0.4147 30 C -0.1059 -1.3436 0.7996 C.3 1 UNL1111 -0.1198 31 N -0.6337 -0.1830 0.0724 N.3 1 UNL1111 -0.8183 32 H 7.1573 0.3927 1.6583 H 1 UNL1111 0.2016 33 H 6.0774 4.7207 0.7854 H 1 UNL1111 0.3245 34 H 4.5798 4.7162 -0.0815 H 1 UNL1111 0.3308 35 H 1.5620 1.0990 -1.6842 H 1 UNL1111 0.2191 36 H 3.4510 -1.7394 -1.5102 H 1 UNL1111 0.1776 37 H -5.3427 1.6993 -1.7136 H 1 UNL1111 0.3318 38 H -7.8390 2.8402 0.4579 H 1 UNL1111 0.1782 39 H -8.5516 1.5937 2.5087 H 1 UNL1111 0.1560 40 H -7.4661 -0.5623 3.0774 H 1 UNL1111 0.1568 41 H -5.6753 -1.4816 1.6400 H 1 UNL1111 0.1529 42 H 3.1344 -1.3303 1.5612 H 1 UNL1111 0.1503 43 H 5.0411 -2.1526 0.6892 H 1 UNL1111 0.3717 44 H -4.5363 -1.5025 -0.4575 H 1 UNL1111 0.1811 45 H -3.1723 0.3485 0.7977 H 1 UNL1111 0.1915 46 H 1.5490 -3.1805 1.8185 H 1 UNL1111 0.1469 47 H 3.0395 -4.3671 0.0076 H 1 UNL1111 0.3483 48 H 0.2375 -2.9205 -0.7351 H 1 UNL1111 0.1997 49 H -0.9392 -1.9658 1.2021 H 1 UNL1111 0.1635 50 H 0.4469 -0.9497 1.6856 H 1 UNL1111 0.1462 51 H 0.1412 0.3845 -0.2807 H 1 UNL1111 0.3025 52 H -4.8955 -0.3155 -1.6995 H 1 UNL1111 0.1506 53 H -3.3690 1.3803 -0.6034 H 1 UNL1111 0.1833 @BOND 1 1 25 2 2 2 7 ar 3 3 2 ar 4 3 32 1 5 4 3 ar 6 4 5 ar 7 5 6 ar 8 6 7 ar 9 6 9 ar 10 7 8 1 11 8 33 1 12 8 34 1 13 10 9 ar 14 10 35 1 15 11 5 ar 16 11 10 ar 17 12 11 1 18 12 29 1 19 12 36 1 20 13 19 ar 21 14 13 1 22 14 37 1 23 15 13 ar 24 15 16 ar 25 15 38 1 26 16 17 ar 27 16 39 1 28 17 18 ar 29 17 40 1 30 18 41 1 31 19 18 ar 32 19 23 1 33 20 1 2 34 21 12 1 35 21 42 1 36 22 21 1 37 22 43 1 38 23 44 1 39 23 52 1 40 24 1 1 41 24 23 1 42 24 45 1 43 24 53 1 44 26 21 1 45 26 28 1 46 26 46 1 47 27 26 1 48 27 47 1 49 28 30 1 50 28 29 1 51 28 48 1 52 30 31 1 53 30 49 1 54 30 50 1 55 31 1 1 56 31 51 1