@MOLECULE (2s,3s,4r,5r,2's,3's,4'r,5'r)-2,2'-[disulfanediylbis(methylene)]bis[5-(6-amino-9h-purin-9-yl)tetrahydro-3,4-furandiol] 62 67 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.3296 3.9418 0.2953 S.3 1 UNL11 0.0093 2 S -0.5660 4.0773 -0.3276 S.3 1 UNL11 0.0060 3 O 2.9586 1.5291 1.3279 O.3 1 UNL11 -0.3974 4 O -2.6807 1.9928 -1.3551 O.3 1 UNL11 -0.3944 5 O 5.3505 0.8687 -0.4525 O.3 1 UNL11 -0.5455 6 O -5.0714 1.8305 0.5191 O.3 1 UNL11 -0.5443 7 O 4.0467 -1.4653 -0.1554 O.3 1 UNL11 -0.5594 8 O -4.2961 -0.7200 0.1479 O.3 1 UNL11 -0.5559 9 N 1.5427 -0.2598 1.6781 N.ar 1 UNL11 -0.3729 10 N -1.5921 -0.0179 -1.6891 N.ar 1 UNL11 -0.3754 11 N -0.6297 -0.0891 2.3208 N.ar 1 UNL11 -0.3747 12 N 0.5873 -0.2346 -2.2902 N.ar 1 UNL11 -0.3755 13 N 1.6169 -2.7018 1.2325 N.ar 1 UNL11 -0.5649 14 N -2.1067 -2.4068 -1.2481 N.ar 1 UNL11 -0.5618 15 N -0.4920 -3.7936 1.6897 N.ar 1 UNL11 -0.5724 16 N -0.2175 -3.8560 -1.6736 N.ar 1 UNL11 -0.5731 17 N -2.4362 -2.6704 2.3275 N.pl3 1 UNL11 -0.5322 18 N 1.9058 -3.0946 -2.2787 N.pl3 1 UNL11 -0.5319 19 C 3.9772 0.8781 -0.7408 C.3 1 UNL11 0.0965 20 C -3.7173 1.5499 0.7551 C.3 1 UNL11 0.0980 21 C 3.2212 -0.3353 -0.1578 C.3 1 UNL11 0.0249 22 C -3.2495 0.2094 0.1480 C.3 1 UNL11 0.0242 23 C 3.3610 2.0618 0.0592 C.3 1 UNL11 0.0945 24 C -2.8928 2.5838 -0.0663 C.3 1 UNL11 0.0930 25 C 2.9021 0.1240 1.2953 C.3 1 UNL11 0.2469 26 C -2.8639 0.6005 -1.3101 C.3 1 UNL11 0.2467 27 C 2.1599 2.6293 -0.6832 C.3 1 UNL11 -0.4037 28 C -1.5568 2.8501 0.6112 C.3 1 UNL11 -0.4034 29 C 1.0125 -1.5379 1.5926 C.ar 1 UNL11 0.2768 30 C -1.2990 -1.3698 -1.5977 C.ar 1 UNL11 0.2757 31 C 0.5092 0.5825 2.1441 C.ar 1 UNL11 0.1506 32 C -0.4164 0.6287 -2.1298 C.ar 1 UNL11 0.1498 33 C -0.3602 -1.4167 1.9936 C.ar 1 UNL11 -0.2013 34 C 0.0804 -1.4937 -1.9735 C.ar 1 UNL11 -0.1995 35 C -1.1191 -2.6186 2.0093 C.ar 1 UNL11 0.4708 36 C 0.6133 -2.8111 -1.9795 C.ar 1 UNL11 0.4702 37 C 0.8115 -3.7849 1.3282 C.ar 1 UNL11 0.3227 38 C -1.5046 -3.6156 -1.3326 C.ar 1 UNL11 0.3225 39 H 3.8794 0.9713 -1.8407 H 1 UNL11 0.1574 40 H -3.5644 1.6143 1.8511 H 1 UNL11 0.1589 41 H 2.3011 -0.5616 -0.7423 H 1 UNL11 0.1676 42 H -2.3905 -0.2147 0.7154 H 1 UNL11 0.1647 43 H 4.1295 2.8194 0.3340 H 1 UNL11 0.1756 44 H -3.4867 3.4959 -0.2982 H 1 UNL11 0.1770 45 H 3.6307 -0.2498 2.0591 H 1 UNL11 0.1766 46 H -3.6479 0.3526 -2.0696 H 1 UNL11 0.1779 47 H 2.4815 3.0548 -1.6551 H 1 UNL11 0.1785 48 H 1.4478 1.8156 -0.9223 H 1 UNL11 0.1795 49 H -1.7179 3.2224 1.6427 H 1 UNL11 0.1797 50 H -0.9956 1.8997 0.7040 H 1 UNL11 0.1778 51 H 5.6496 -0.0510 -0.2604 H 1 UNL11 0.3474 52 H -5.5562 1.0016 0.2972 H 1 UNL11 0.3472 53 H 3.5397 -2.2133 0.2727 H 1 UNL11 0.3685 54 H -3.9535 -1.5611 -0.2693 H 1 UNL11 0.3669 55 H 0.6812 1.6333 2.3477 H 1 UNL11 0.2200 56 H -0.3956 1.6933 -2.3332 H 1 UNL11 0.2198 57 H 1.2525 -4.7650 1.0685 H 1 UNL11 0.2067 58 H -2.1159 -4.5014 -1.0805 H 1 UNL11 0.2061 59 H -2.9322 -3.5417 2.2864 H 1 UNL11 0.3236 60 H -2.9657 -1.8227 2.4229 H 1 UNL11 0.3303 61 H 2.2379 -4.0403 -2.2301 H 1 UNL11 0.3224 62 H 2.5831 -2.3539 -2.3256 H 1 UNL11 0.3305 @BOND 1 1 2 1 2 1 27 1 3 2 28 1 4 3 23 1 5 3 25 1 6 4 24 1 7 4 26 1 8 5 19 1 9 5 51 1 10 6 20 1 11 6 52 1 12 7 21 1 13 7 53 1 14 8 22 1 15 8 54 1 16 9 25 1 17 9 29 ar 18 9 31 ar 19 10 26 1 20 10 30 ar 21 10 32 ar 22 11 31 ar 23 11 33 ar 24 12 32 ar 25 12 34 ar 26 13 29 ar 27 13 37 ar 28 14 30 ar 29 14 38 ar 30 15 35 ar 31 15 37 ar 32 16 36 ar 33 16 38 ar 34 17 35 1 35 17 59 1 36 17 60 1 37 18 36 1 38 18 61 1 39 18 62 1 40 19 21 1 41 19 39 1 42 20 22 1 43 20 40 1 44 21 25 1 45 21 41 1 46 22 26 1 47 22 42 1 48 23 19 1 49 23 27 1 50 23 43 1 51 24 20 1 52 24 28 1 53 24 44 1 54 25 45 1 55 26 46 1 56 27 47 1 57 27 48 1 58 28 49 1 59 28 50 1 60 29 33 ar 61 30 34 ar 62 31 55 1 63 32 56 1 64 33 35 ar 65 34 36 ar 66 37 57 1 67 38 58 1