@MOLECULE 3'-deoxy-8-(vinylsulfanyl)adenosine 5'-(dihydrogen phosphate) 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.6710 1.1460 -0.8780 S.3 1 UNL11 0.1814 2 P 3.9105 -0.0992 -0.7637 P.3 1 UNL11 0.3405 3 O -0.3473 2.2411 -0.5052 O.3 1 UNL11 -0.4223 4 O -0.2746 2.9369 2.6567 O.3 1 UNL11 -0.5416 5 O 2.9876 1.0845 -1.3145 O.3 1 UNL11 -0.2570 6 O 3.1878 -1.4361 -1.2745 O.3 1 UNL11 -0.4201 7 O 3.6616 -0.2038 0.8003 O.3 1 UNL11 -0.3158 8 O 5.2916 0.1551 -1.1304 O.2 1 UNL11 -0.2164 9 N -1.3365 0.3582 0.4528 N.ar 1 UNL11 -0.3626 10 N -2.6250 -1.3434 -0.3737 N.ar 1 UNL11 -0.3636 11 N 0.5470 -1.0522 1.3138 N.ar 1 UNL11 -0.5514 12 N 0.1468 -3.4256 1.0567 N.ar 1 UNL11 -0.5610 13 N -1.7531 -4.3032 0.0149 N.pl3 1 UNL11 -0.5454 14 C -0.9135 1.7407 0.6769 C.3 1 UNL11 0.2314 15 C 0.1495 1.9094 1.8046 C.3 1 UNL11 0.1248 16 C 1.4439 2.2559 1.0588 C.3 1 UNL11 -0.3717 17 C 1.0869 2.2502 -0.4308 C.3 1 UNL11 0.0992 18 C 1.5550 1.0388 -1.2652 C.3 1 UNL11 -0.0729 19 C -0.6543 -0.8275 0.7178 C.ar 1 UNL11 0.3018 20 C -2.5142 -0.0211 -0.2505 C.ar 1 UNL11 0.1406 21 C -1.4944 -1.8853 0.2263 C.ar 1 UNL11 -0.1963 22 C -1.0479 -3.2188 0.4230 C.ar 1 UNL11 0.4668 23 C 0.8716 -2.3573 1.4569 C.ar 1 UNL11 0.3101 24 C -5.1797 0.2226 -0.8819 C.2 1 UNL11 -0.1930 25 C -6.3295 0.8176 -1.1863 C.2 1 UNL11 -0.2998 26 H -1.8208 2.3771 0.8564 H 1 UNL11 0.1759 27 H 0.2330 1.0396 2.4929 H 1 UNL11 0.1868 28 H 1.8363 3.2389 1.3759 H 1 UNL11 0.1626 29 H 2.2516 1.5507 1.3241 H 1 UNL11 0.1952 30 H 1.3649 3.2006 -0.9350 H 1 UNL11 0.1455 31 H 1.2609 1.1799 -2.3308 H 1 UNL11 0.1452 32 H 1.0783 0.1052 -0.9173 H 1 UNL11 0.1465 33 H -0.2531 3.8117 2.2165 H 1 UNL11 0.3181 34 H 1.8397 -2.5798 1.9452 H 1 UNL11 0.2065 35 H -2.6200 -4.1832 -0.4743 H 1 UNL11 0.3285 36 H -1.3976 -5.2284 0.1608 H 1 UNL11 0.3241 37 H -5.1024 -0.8412 -0.6417 H 1 UNL11 0.1892 38 H 3.7020 -1.8193 -2.0650 H 1 UNL11 0.3297 39 H 2.6752 -0.4648 0.9699 H 1 UNL11 0.3311 40 H -7.2715 0.2844 -1.2113 H 1 UNL11 0.1553 41 H -6.4522 1.8622 -1.4341 H 1 UNL11 0.1542 @BOND 1 1 20 1 2 1 24 1 3 2 5 1 4 2 6 1 5 2 7 1 6 2 8 2 7 3 14 1 8 3 17 1 9 4 15 1 10 4 33 1 11 5 18 1 12 6 38 1 13 7 39 1 14 9 14 1 15 9 19 ar 16 9 20 ar 17 10 20 ar 18 10 21 ar 19 11 19 ar 20 11 23 ar 21 12 22 ar 22 12 23 ar 23 13 22 1 24 13 35 1 25 13 36 1 26 14 15 1 27 14 26 1 28 15 16 1 29 15 27 1 30 16 17 1 31 16 28 1 32 16 29 1 33 17 18 1 34 17 30 1 35 18 31 1 36 18 32 1 37 19 21 ar 38 21 22 ar 39 23 34 1 40 24 25 2 41 24 37 1 42 25 40 1 43 25 41 1