@MOLECULE n-[(2r)-4-methyl-3-penten-2-yl]adenosine 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O4* -3.5898 0.6014 -1.0849 O.3 1 UNL1111111111 -0.4262 2 O2* -2.9548 -2.5539 0.2804 O.3 1 UNL1111111111 -0.5538 3 O3* -5.4484 -1.7877 -0.2087 O.3 1 UNL1111111111 -0.5380 4 O5* -4.7839 2.8807 -0.0382 O.3 1 UNL1111111111 -0.5183 5 N -1.3730 0.2506 -0.5578 N.ar 1 UNL1111111111 -0.3823 6 N 0.2826 1.8073 -0.6054 N.ar 1 UNL1111111111 -0.3378 7 N -0.0981 -1.6273 0.4550 N.ar 1 UNL1111111111 -0.5677 8 N 3.0792 1.1215 0.5305 N.pl3 1 UNL1111111111 -0.4555 9 N 2.2026 -1.0408 0.9264 N.ar 1 UNL1111111111 -0.5904 10 C2* -3.1452 -1.1811 0.4630 C.3 1 UNL1111111111 0.0389 11 C1* -2.6525 -0.4089 -0.7995 C.3 1 UNL1111111111 0.2489 12 C3* -4.6592 -0.8674 0.4979 C.3 1 UNL1111111111 0.0882 13 C4* -4.7480 0.4824 -0.2464 C.3 1 UNL1111111111 0.0281 14 C5* -4.7487 1.6829 0.7055 C.3 1 UNL1111111111 -0.0491 15 C -0.2521 -0.3584 -0.0149 C.ar 1 UNL1111111111 0.2779 16 C -0.9904 1.5693 -0.9135 C.ar 1 UNL1111111111 0.1483 17 C 0.7797 0.6332 -0.0435 C.ar 1 UNL1111111111 -0.1992 18 C 2.0552 0.2453 0.4662 C.ar 1 UNL1111111111 0.4650 19 C 4.4458 0.7436 0.9555 C.3 1 UNL1111111111 0.1262 20 C 1.1497 -1.8881 0.9031 C.ar 1 UNL1111111111 0.3122 21 C 5.3277 0.7015 -0.2597 C.2 1 UNL1111111111 -0.3260 22 C 4.9457 1.8009 1.9521 C.3 1 UNL1111111111 -0.4691 23 C 5.7368 -0.4298 -0.8511 C.2 1 UNL1111111111 0.1313 24 C 6.6063 -0.3896 -2.0656 C.3 1 UNL1111111111 -0.4694 25 C 5.3835 -1.7948 -0.3694 C.3 1 UNL1111111111 -0.4805 26 H2* -2.6310 -0.8545 1.3924 H 1 UNL1111111111 0.1535 27 H1* -2.5844 -1.0553 -1.7127 H 1 UNL1111111111 0.1734 28 H3* -5.0752 -0.8432 1.5256 H 1 UNL1111111111 0.1500 29 H4* -5.5955 0.5140 -0.9688 H 1 UNL1111111111 0.1833 30 H5*1 -3.8632 1.6957 1.3664 H 1 UNL1111111111 0.1283 31 H5*2 -5.6718 1.7270 1.3140 H 1 UNL1111111111 0.1525 32 H2* -1.9722 -2.7390 0.3344 H 1 UNL1111111111 0.3736 33 H3* -4.9214 -2.5900 -0.4368 H 1 UNL1111111111 0.3491 34 H -1.6806 2.2577 -1.3775 H 1 UNL1111111111 0.2044 35 H5* -4.0257 2.8916 -0.6633 H 1 UNL1111111111 0.3181 36 H 2.9559 2.0406 0.1138 H 1 UNL1111111111 0.3333 37 H 4.4037 -0.2574 1.4715 H 1 UNL1111111111 0.1781 38 H 1.3366 -2.9047 1.2923 H 1 UNL1111111111 0.1966 39 H 5.6118 1.6757 -0.6477 H 1 UNL1111111111 0.1557 40 H 4.3186 1.8240 2.8520 H 1 UNL1111111111 0.1595 41 H 4.9494 2.8085 1.5229 H 1 UNL1111111111 0.1516 42 H 5.9712 1.5722 2.2651 H 1 UNL1111111111 0.1563 43 H 6.0694 -0.7834 -2.9424 H 1 UNL1111111111 0.1652 44 H 7.5085 -1.0031 -1.9338 H 1 UNL1111111111 0.1572 45 H 6.9395 0.6243 -2.3223 H 1 UNL1111111111 0.1542 46 H 4.3178 -1.8689 -0.0844 H 1 UNL1111111111 0.1897 47 H 5.5604 -2.5729 -1.1218 H 1 UNL1111111111 0.1542 48 H 5.9670 -2.0647 0.5225 H 1 UNL1111111111 0.1606 @BOND 1 1 11 1 2 1 13 1 3 2 10 1 4 2 32 1 5 3 12 1 6 3 33 1 7 4 14 1 8 4 35 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 20 ar 16 8 18 1 17 8 19 1 18 8 36 1 19 9 18 ar 20 9 20 ar 21 10 11 1 22 10 12 1 23 10 26 1 24 11 27 1 25 12 13 1 26 12 28 1 27 13 14 1 28 13 29 1 29 14 30 1 30 14 31 1 31 15 17 ar 32 16 34 1 33 17 18 ar 34 19 21 1 35 19 22 1 36 19 37 1 37 20 38 1 38 21 23 2 39 21 39 1 40 22 40 1 41 22 41 1 42 22 42 1 43 23 24 1 44 23 25 1 45 24 43 1 46 24 44 1 47 24 45 1 48 25 46 1 49 25 47 1 50 25 48 1