@MOLECULE n-allyladenosine 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 O4* -2.8654 0.8280 -0.9031 O.3 1 UNL111111111 -0.4266 2 O2* -2.3326 -2.5241 -0.0909 O.3 1 UNL111111111 -0.5531 3 O3* -4.8059 -1.5998 -0.2734 O.3 1 UNL111111111 -0.5369 4 O5* -4.0463 2.9653 0.5042 O.3 1 UNL111111111 -0.5198 5 N -0.6449 0.3113 -0.5294 N.ar 1 UNL111111111 -0.3820 6 N 1.0796 1.7793 -0.3322 N.ar 1 UNL111111111 -0.3411 7 N 0.5820 -1.7837 0.0059 N.ar 1 UNL111111111 -0.5596 8 N 3.8881 0.7619 0.4994 N.pl3 1 UNL111111111 -0.4536 9 N 2.9245 -1.3965 0.4707 N.ar 1 UNL111111111 -0.5741 10 C2* -2.4384 -1.1940 0.3254 C.3 1 UNL111111111 0.0381 11 C1* -1.9633 -0.2473 -0.8203 C.3 1 UNL111111111 0.2501 12 C3* -3.9295 -0.8228 0.4986 C.3 1 UNL111111111 0.0896 13 C4* -3.9950 0.6221 -0.0413 C.3 1 UNL111111111 0.0261 14 C5* -3.9193 1.6775 1.0654 C.3 1 UNL111111111 -0.0481 15 C 0.4680 -0.4404 -0.1826 C.ar 1 UNL111111111 0.2736 16 C -0.2158 1.6596 -0.6168 C.ar 1 UNL111111111 0.1541 17 C 1.5448 0.4956 -0.0559 C.ar 1 UNL111111111 -0.1956 18 C 2.8169 -0.0418 0.2959 C.ar 1 UNL111111111 0.4591 19 C 1.8328 -2.1821 0.3244 C.ar 1 UNL111111111 0.3116 20 C 5.2362 0.2338 0.7363 C.3 1 UNL111111111 -0.0858 21 C 6.0970 0.3789 -0.4856 C.2 1 UNL111111111 -0.1413 22 C 7.4161 0.5434 -0.4108 C.2 1 UNL111111111 -0.3201 23 H2* -1.8627 -1.0517 1.2652 H 1 UNL111111111 0.1527 24 H1* -1.9538 -0.7419 -1.8265 H 1 UNL111111111 0.1746 25 H3* -4.2843 -0.9276 1.5444 H 1 UNL111111111 0.1510 26 H4* -4.8689 0.7807 -0.7152 H 1 UNL111111111 0.1846 27 H5*1 -2.9733 1.6226 1.6337 H 1 UNL111111111 0.1292 28 H5*2 -4.7790 1.6126 1.7595 H 1 UNL111111111 0.1535 29 H2* -1.3605 -2.7580 -0.1415 H 1 UNL111111111 0.3736 30 H3* -4.3295 -2.3667 -0.6716 H 1 UNL111111111 0.3495 31 H -0.8923 2.4570 -0.8874 H 1 UNL111111111 0.2065 32 H5* -3.3566 3.0875 -0.1845 H 1 UNL111111111 0.3178 33 H 1.9887 -3.2645 0.4820 H 1 UNL111111111 0.2002 34 H 3.7999 1.7514 0.2855 H 1 UNL111111111 0.3360 35 H 5.6645 0.7709 1.6167 H 1 UNL111111111 0.1558 36 H 5.1842 -0.8511 1.0279 H 1 UNL111111111 0.1959 37 H 5.5685 0.3125 -1.4371 H 1 UNL111111111 0.1598 38 H 8.0538 0.6229 -1.2785 H 1 UNL111111111 0.1498 39 H 7.9689 0.6080 0.5132 H 1 UNL111111111 0.1450 @BOND 1 1 11 1 2 1 13 1 3 2 10 1 4 2 29 1 5 3 12 1 6 3 30 1 7 4 14 1 8 4 32 1 9 5 11 1 10 5 15 ar 11 5 16 ar 12 6 16 ar 13 6 17 ar 14 7 15 ar 15 7 19 ar 16 8 18 1 17 8 20 1 18 8 34 1 19 9 18 ar 20 9 19 ar 21 10 11 1 22 10 12 1 23 10 23 1 24 11 24 1 25 12 13 1 26 12 25 1 27 13 14 1 28 13 26 1 29 14 27 1 30 14 28 1 31 15 17 ar 32 16 31 1 33 17 18 ar 34 19 33 1 35 20 21 1 36 20 35 1 37 20 36 1 38 21 22 2 39 21 37 1 40 22 38 1 41 22 39 1