@MOLECULE n-butyryl-3'-deoxyadenosine 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8460 -0.8052 0.8401 O.3 1 UNL111111111 -0.4316 2 O -3.5663 2.5526 0.0110 O.3 1 UNL111111111 -0.5368 3 O -4.2652 -3.0542 -0.7578 O.3 1 UNL111111111 -0.5210 4 O 4.5095 1.1873 -0.5785 O.2 1 UNL111111111 -0.3847 5 N -1.6478 -0.1088 0.7292 N.ar 1 UNL111111111 -0.3785 6 N 0.1876 -1.4475 0.8453 N.ar 1 UNL111111111 -0.3498 7 N -0.5203 2.0031 0.0472 N.ar 1 UNL111111111 -0.5241 8 N 2.9829 -0.3514 0.1819 N.am 1 UNL111111111 -0.5648 9 N 1.8737 1.7339 -0.1932 N.ar 1 UNL111111111 -0.4915 10 C -3.0348 0.3435 0.8318 C.3 1 UNL111111111 0.2411 11 C -3.4527 1.2192 -0.3963 C.3 1 UNL111111111 0.1181 12 C -4.8440 0.6762 -0.7439 C.3 1 UNL111111111 -0.3566 13 C -4.7987 -0.7665 -0.2354 C.3 1 UNL111111111 0.0806 14 C -4.3297 -1.7577 -1.3097 C.3 1 UNL111111111 -0.0528 15 C -0.5649 0.6870 0.3846 C.ar 1 UNL111111111 0.2607 16 C -1.1338 -1.3975 1.0100 C.ar 1 UNL111111111 0.1593 17 C 0.5846 -0.1701 0.4557 C.ar 1 UNL111111111 -0.1813 18 C 1.8397 0.4220 0.1375 C.ar 1 UNL111111111 0.4695 19 C 0.7220 2.4544 -0.2230 C.ar 1 UNL111111111 0.2905 20 C 4.2926 0.0809 -0.1766 C.2 1 UNL111111111 0.5789 21 C 5.3262 -1.0059 0.0084 C.3 1 UNL111111111 -0.3618 22 C 6.7106 -0.4666 -0.3712 C.3 1 UNL111111111 -0.2290 23 C 7.7785 -1.5425 -0.1965 C.3 1 UNL111111111 -0.4438 24 H -3.1957 0.8566 1.8147 H 1 UNL111111111 0.1747 25 H -2.7365 1.1452 -1.2418 H 1 UNL111111111 0.1446 26 H -5.6237 1.2746 -0.2304 H 1 UNL111111111 0.1830 27 H -5.0674 0.7555 -1.8187 H 1 UNL111111111 0.1661 28 H -5.7356 -1.1090 0.2540 H 1 UNL111111111 0.1606 29 H -3.3429 -1.4883 -1.7260 H 1 UNL111111111 0.1299 30 H -5.0649 -1.8586 -2.1293 H 1 UNL111111111 0.1505 31 H -2.6481 2.9289 0.0962 H 1 UNL111111111 0.3529 32 H -1.7720 -2.2111 1.3245 H 1 UNL111111111 0.2048 33 H -3.6421 -3.0463 0.0014 H 1 UNL111111111 0.3165 34 H 0.8261 3.5196 -0.4990 H 1 UNL111111111 0.2076 35 H 2.8373 -1.3193 0.4865 H 1 UNL111111111 0.3389 36 H 5.3323 -1.3624 1.0591 H 1 UNL111111111 0.1714 37 H 5.0777 -1.8884 -0.6164 H 1 UNL111111111 0.1709 38 H 6.7010 -0.0976 -1.4170 H 1 UNL111111111 0.1519 39 H 6.9535 0.4229 0.2453 H 1 UNL111111111 0.1520 40 H 7.8359 -1.8945 0.8396 H 1 UNL111111111 0.1434 41 H 8.7711 -1.1594 -0.4633 H 1 UNL111111111 0.1462 42 H 7.5865 -2.4134 -0.8330 H 1 UNL111111111 0.1432 @BOND 1 1 10 1 2 1 13 1 3 2 11 1 4 2 31 1 5 3 14 1 6 3 33 1 7 4 20 2 8 5 10 1 9 5 15 ar 10 5 16 ar 11 6 16 ar 12 6 17 ar 13 7 15 ar 14 7 19 ar 15 8 18 1 16 8 20 am 17 8 35 1 18 9 18 ar 19 9 19 ar 20 10 11 1 21 10 24 1 22 11 12 1 23 11 25 1 24 12 13 1 25 12 26 1 26 12 27 1 27 13 14 1 28 13 28 1 29 14 29 1 30 14 30 1 31 15 17 ar 32 16 32 1 33 17 18 ar 34 19 34 1 35 20 21 1 36 21 22 1 37 21 36 1 38 21 37 1 39 22 23 1 40 22 38 1 41 22 39 1 42 23 40 1 43 23 41 1 44 23 42 1