@MOLECULE 6-(decyldisulfanyl)-7h-purine 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.0447 -2.8384 -0.3203 S.3 1 UNL1111111111 0.1093 2 S 2.8531 -1.2518 -1.1949 S.3 1 UNL1111111111 -0.0023 3 N 4.1534 1.8113 -1.5915 N.ar 1 UNL1111111111 -0.3637 4 N 3.6818 -0.5342 1.2651 N.ar 1 UNL1111111111 -0.4454 5 N 5.0585 3.1308 0.0298 N.ar 1 UNL1111111111 -0.3675 6 N 4.7459 1.5376 1.9088 N.ar 1 UNL1111111111 -0.3700 7 C -4.1702 -0.5621 0.5201 C.3 1 UNL1111111111 -0.2703 8 C -5.2779 0.0633 -0.3373 C.3 1 UNL1111111111 -0.2725 9 C -2.9130 -0.8189 -0.3210 C.3 1 UNL1111111111 -0.2739 10 C -6.5370 0.3105 0.5035 C.3 1 UNL1111111111 -0.2745 11 C -1.7974 -1.4163 0.5460 C.3 1 UNL1111111111 -0.2726 12 C -7.6366 0.9618 -0.3445 C.3 1 UNL1111111111 -0.2723 13 C -0.5547 -1.7247 -0.3057 C.3 1 UNL1111111111 -0.2674 14 C -8.8969 1.2081 0.4958 C.3 1 UNL1111111111 -0.2508 15 C 0.5418 -2.3116 0.5744 C.3 1 UNL1111111111 -0.3442 16 C -9.9937 1.8616 -0.3449 C.3 1 UNL1111111111 -0.4398 17 C 3.6054 -0.1773 -0.0172 C.ar 1 UNL1111111111 0.1245 18 C 4.0838 1.0803 -0.4113 C.ar 1 UNL1111111111 -0.1403 19 C 4.6632 1.9324 0.6177 C.ar 1 UNL1111111111 0.2810 20 C 4.7466 3.0386 -1.2694 C.ar 1 UNL1111111111 0.1723 21 C 4.2487 0.3214 2.1735 C.ar 1 UNL1111111111 0.2136 22 H -3.9284 0.1041 1.3696 H 1 UNL1111111111 0.1387 23 H -4.5262 -1.5070 0.9668 H 1 UNL1111111111 0.1362 24 H -4.9247 1.0139 -0.7787 H 1 UNL1111111111 0.1371 25 H -5.5166 -0.5978 -1.1911 H 1 UNL1111111111 0.1360 26 H -3.1518 -1.5004 -1.1585 H 1 UNL1111111111 0.1360 27 H -2.5689 0.1244 -0.7856 H 1 UNL1111111111 0.1394 28 H -6.2941 0.9561 1.3681 H 1 UNL1111111111 0.1373 29 H -6.9015 -0.6429 0.9291 H 1 UNL1111111111 0.1363 30 H -2.1579 -2.3362 1.0421 H 1 UNL1111111111 0.1364 31 H -1.5361 -0.7124 1.3591 H 1 UNL1111111111 0.1423 32 H -7.8798 0.3190 -1.2106 H 1 UNL1111111111 0.1362 33 H -7.2736 1.9165 -0.7686 H 1 UNL1111111111 0.1367 34 H -0.8285 -2.4210 -1.1223 H 1 UNL1111111111 0.1457 35 H -0.2166 -0.7942 -0.8047 H 1 UNL1111111111 0.1509 36 H -9.2628 0.2532 0.9181 H 1 UNL1111111111 0.1336 37 H -8.6532 1.8496 1.3637 H 1 UNL1111111111 0.1340 38 H 0.1793 -3.2230 1.0955 H 1 UNL1111111111 0.1691 39 H 0.8210 -1.5987 1.3783 H 1 UNL1111111111 0.1764 40 H -9.6660 2.8245 -0.7524 H 1 UNL1111111111 0.1424 41 H -10.2824 1.2268 -1.1899 H 1 UNL1111111111 0.1421 42 H -10.8941 2.0460 0.2513 H 1 UNL1111111111 0.1405 43 H 3.8214 1.5064 -2.4816 H 1 UNL1111111111 0.3340 44 H 4.9216 3.8130 -2.0068 H 1 UNL1111111111 0.2016 45 H 4.2918 -0.0344 3.2175 H 1 UNL1111111111 0.2079 @BOND 1 1 2 1 2 1 15 1 3 2 17 1 4 3 18 ar 5 3 20 ar 6 3 43 1 7 4 17 ar 8 4 21 ar 9 5 19 ar 10 5 20 ar 11 6 19 ar 12 6 21 ar 13 7 8 1 14 7 9 1 15 7 22 1 16 7 23 1 17 8 10 1 18 8 24 1 19 8 25 1 20 9 11 1 21 9 26 1 22 9 27 1 23 10 12 1 24 10 28 1 25 10 29 1 26 11 13 1 27 11 30 1 28 11 31 1 29 12 14 1 30 12 32 1 31 12 33 1 32 13 15 1 33 13 34 1 34 13 35 1 35 14 16 1 36 14 36 1 37 14 37 1 38 15 38 1 39 15 39 1 40 16 40 1 41 16 41 1 42 16 42 1 43 17 18 ar 44 18 19 ar 45 20 44 1 46 21 45 1