@MOLECULE n-(3-methylbutyl)adenosine 5'-(dihydrogen phosphate) 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 P 3.0991 -2.8620 0.1638 P.3 1 UNL11 0.3469 2 O 3.0232 0.8811 -0.9972 O.3 1 UNL11 -0.3731 3 O 1.7942 3.7298 0.6090 O.3 1 UNL11 -0.5537 4 O 4.4091 3.1612 0.5250 O.3 1 UNL11 -0.5396 5 O 3.8067 -1.4447 -0.0042 O.3 1 UNL11 -0.2039 6 O 3.6948 -3.4126 1.5383 O.3 1 UNL11 -0.3306 7 O 1.5828 -2.6318 0.6237 O.3 1 UNL11 -0.4284 8 O 3.3327 -3.6358 -1.0385 O.2 1 UNL11 -0.2248 9 N 0.7214 0.9909 -0.9681 N.ar 1 UNL11 -0.3768 10 N -0.7115 -0.6221 -1.6836 N.ar 1 UNL11 -0.3504 11 N -0.9184 2.4775 0.1639 N.ar 1 UNL11 -0.5673 12 N -3.7396 -0.3721 -1.0898 N.pl3 1 UNL11 -0.4540 13 N -3.1791 1.6218 0.0521 N.ar 1 UNL11 -0.5761 14 C 2.0711 2.3607 0.6356 C.3 1 UNL11 0.0360 15 C 3.5649 2.1343 0.9717 C.3 1 UNL11 0.0836 16 C 1.9490 1.7665 -0.8009 C.3 1 UNL11 0.2323 17 C 3.8915 0.8698 0.1397 C.3 1 UNL11 0.0476 18 C 3.6476 -0.3993 0.9768 C.3 1 UNL11 -0.0879 19 C -0.5387 1.3739 -0.5373 C.ar 1 UNL11 0.2713 20 C 0.5609 -0.2260 -1.6778 C.ar 1 UNL11 0.1449 21 C -1.4298 0.3463 -0.9856 C.ar 1 UNL11 -0.2038 22 C -2.8090 0.5126 -0.6648 C.ar 1 UNL11 0.4589 23 C -5.4654 -1.4716 0.2844 C.3 1 UNL11 -0.3142 24 C -5.1439 -0.3074 -0.6674 C.3 1 UNL11 -0.0681 25 C -6.8241 -1.2960 0.9884 C.3 1 UNL11 -0.0537 26 C -2.2452 2.5290 0.4160 C.ar 1 UNL11 0.3115 27 C -7.9563 -1.0629 -0.0176 C.3 1 UNL11 -0.4586 28 C -6.7725 -0.1545 2.0095 C.3 1 UNL11 -0.4552 29 H 1.4021 1.8578 1.3674 H 1 UNL11 0.1542 30 H 3.7589 2.0297 2.0573 H 1 UNL11 0.1470 31 H 2.0188 2.5430 -1.6054 H 1 UNL11 0.1709 32 H 4.9040 0.8922 -0.3199 H 1 UNL11 0.1814 33 H 4.4402 -0.5136 1.7465 H 1 UNL11 0.1419 34 H 2.6620 -0.3640 1.4793 H 1 UNL11 0.1377 35 H 0.8045 3.8410 0.5165 H 1 UNL11 0.3713 36 H 3.8836 3.9642 0.2973 H 1 UNL11 0.3483 37 H 1.3986 -0.7204 -2.1595 H 1 UNL11 0.2251 38 H -5.4564 -2.4278 -0.2707 H 1 UNL11 0.1394 39 H -4.6699 -1.5581 1.0518 H 1 UNL11 0.1539 40 H -5.3546 0.6732 -0.1727 H 1 UNL11 0.1845 41 H -5.7818 -0.3496 -1.5797 H 1 UNL11 0.1462 42 H -7.0385 -2.2468 1.5405 H 1 UNL11 0.1289 43 H -3.4256 -1.2094 -1.5714 H 1 UNL11 0.3330 44 H -2.6126 3.4036 0.9819 H 1 UNL11 0.1982 45 H -7.8870 -0.0760 -0.4883 H 1 UNL11 0.1474 46 H -8.9343 -1.1142 0.4742 H 1 UNL11 0.1436 47 H -7.9495 -1.8162 -0.8120 H 1 UNL11 0.1428 48 H -5.9824 -0.3161 2.7511 H 1 UNL11 0.1468 49 H -6.5731 0.8130 1.5336 H 1 UNL11 0.1528 50 H -7.7202 -0.0627 2.5498 H 1 UNL11 0.1407 51 H 3.0306 -4.0945 1.9250 H 1 UNL11 0.3183 52 H 1.0958 -2.0233 -0.0302 H 1 UNL11 0.3329 @BOND 1 1 5 1 2 1 6 1 3 1 7 1 4 1 8 2 5 2 16 1 6 2 17 1 7 3 14 1 8 3 35 1 9 4 15 1 10 4 36 1 11 5 18 1 12 6 51 1 13 7 52 1 14 9 16 1 15 9 19 ar 16 9 20 ar 17 10 20 ar 18 10 21 ar 19 11 19 ar 20 11 26 ar 21 12 22 1 22 12 24 1 23 12 43 1 24 13 22 ar 25 13 26 ar 26 14 15 1 27 14 29 1 28 15 17 1 29 15 30 1 30 16 14 1 31 16 31 1 32 17 18 1 33 17 32 1 34 18 33 1 35 18 34 1 36 19 21 ar 37 20 37 1 38 21 22 ar 39 23 24 1 40 23 25 1 41 23 38 1 42 23 39 1 43 24 40 1 44 24 41 1 45 25 27 1 46 25 28 1 47 25 42 1 48 26 44 1 49 27 45 1 50 27 46 1 51 27 47 1 52 28 48 1 53 28 49 1 54 28 50 1