@MOLECULE 5'-o-[{[{[(benzylamino)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 61 64 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.7464 1.4695 -0.4812 C.3 1 UNL1 0.2400 2 C 2.6461 0.7984 -1.8900 C.3 1 UNL1 0.0344 3 C 0.4762 1.1873 -0.9381 C.3 1 UNL1 0.0324 4 C 1.1810 1.0678 -2.3048 C.3 1 UNL1 0.1019 5 C 2.9273 0.1897 1.7654 C.ar 1 UNL1 0.1447 6 C 6.4833 -0.8812 -0.6936 C.ar 1 UNL1 0.3101 7 C -2.4564 4.0423 0.6491 C.ar 1 UNL1 -0.1431 8 C -0.6237 2.8452 1.6748 C.ar 1 UNL1 -0.1696 9 C -1.6013 5.1025 0.3578 C.ar 1 UNL1 -0.1502 10 C 0.2306 3.9058 1.3780 C.ar 1 UNL1 -0.1286 11 C -0.2571 5.0341 0.7206 C.ar 1 UNL1 -0.1525 12 C 0.0318 -0.1678 -0.3475 C.3 1 UNL1 -0.0361 13 C -2.9042 1.7676 1.6073 C.3 1 UNL1 -0.0932 14 H 4.4526 1.1427 -2.5405 H 1 UNL1 0.3640 15 H 1.8556 2.7217 -3.1648 H 1 UNL1 0.3433 16 H 7.1536 -3.0316 2.4765 H 1 UNL1 0.3258 17 H 5.7266 -2.5258 3.3141 H 1 UNL1 0.3294 18 H -2.4970 0.9980 -0.3104 H 1 UNL1 0.3053 19 C 5.9761 -1.6840 1.4611 C.ar 1 UNL1 0.4693 20 C -1.9685 2.9142 1.3099 C.ar 1 UNL1 -0.0499 21 O -0.1724 -2.9504 -1.9336 O.2 1 UNL1 -0.2105 22 O -3.8597 -3.7744 1.0548 O.2 1 UNL1 -0.1585 23 O -5.1316 -0.0962 -1.1808 O.2 1 UNL1 -0.2774 24 O 3.5270 1.4404 -2.7651 O.3 1 UNL1 -0.5460 25 O 0.9955 2.2799 -2.9871 O.3 1 UNL1 -0.5449 26 O -2.3444 -1.8840 -2.7398 O.3 1 UNL1 -0.2642 27 O -2.1149 -2.2940 2.1115 O.3 1 UNL1 -0.3134 28 O -5.4608 0.3250 1.3719 O.3 1 UNL1 -0.3477 29 O -2.0363 -2.7914 -0.3548 O.3 1 UNL1 -0.1894 30 O -1.0456 -0.5677 -1.1904 O.3 1 UNL1 -0.3569 31 O -3.6358 -1.1945 0.5242 O.3 1 UNL1 -0.3631 32 H -3.1139 -1.2861 -2.3816 H 1 UNL1 0.3381 33 H -1.5624 -1.4531 1.9329 H 1 UNL1 0.3011 34 H -6.2455 -0.3342 1.3115 H 1 UNL1 0.3233 35 O 1.4443 1.7179 -0.0175 O.3 1 UNL1 -0.4239 36 N 6.3180 -2.4791 2.5047 N.pl3 1 UNL1 -0.5430 37 N 3.7594 -0.6717 2.3483 N.ar 1 UNL1 -0.3441 38 N 5.3950 -0.0912 -0.8229 N.ar 1 UNL1 -0.5496 39 N 6.8038 -1.6546 0.3707 N.ar 1 UNL1 -0.5679 40 N -3.3582 1.2674 0.2584 N.3 1 UNL1 -0.3061 41 P -1.3014 -2.1159 -1.5791 P.3 1 UNL1 0.3908 42 P -3.0479 -2.5979 0.8593 P.3 1 UNL1 0.3779 43 P -4.5090 0.0498 0.1238 P.3 1 UNL1 0.3752 44 C 4.5742 -0.1091 0.2623 C.ar 1 UNL1 0.2726 45 C 4.8001 -0.8862 1.4476 C.ar 1 UNL1 -0.1977 46 N 3.3850 0.5683 0.4791 N.ar 1 UNL1 -0.3813 47 H 3.2761 2.4547 -0.4890 H 1 UNL1 0.1723 48 H 2.8679 -0.2917 -1.8671 H 1 UNL1 0.1601 49 H -0.3332 1.9486 -0.9515 H 1 UNL1 0.1790 50 H 0.7524 0.2900 -2.9725 H 1 UNL1 0.1815 51 H 2.0148 0.5871 2.1842 H 1 UNL1 0.2040 52 H 0.8919 -0.8642 -0.2764 H 1 UNL1 0.1403 53 H -0.3750 -0.0120 0.6745 H 1 UNL1 0.1185 54 H 7.1887 -0.9065 -1.5441 H 1 UNL1 0.2031 55 H -2.4062 1.0018 2.2451 H 1 UNL1 0.1356 56 H -3.7796 2.1402 2.1973 H 1 UNL1 0.1640 57 H -3.5045 4.0807 0.3479 H 1 UNL1 0.1685 58 H -0.2335 1.9686 2.1857 H 1 UNL1 0.1468 59 H -1.9834 5.9815 -0.1577 H 1 UNL1 0.1505 60 H 1.2840 3.8469 1.6485 H 1 UNL1 0.1537 61 H 0.4132 5.8585 0.4862 H 1 UNL1 0.1512 @BOND 1 15 25 1 2 25 4 1 3 50 4 1 4 24 14 1 5 24 2 1 6 26 32 1 7 26 41 1 8 4 2 1 9 4 3 1 10 21 41 2 11 2 48 1 12 2 1 1 13 41 30 1 14 41 29 1 15 54 6 1 16 30 12 1 17 23 43 2 18 49 3 1 19 3 12 1 20 3 35 1 21 38 6 ar 22 38 44 ar 23 6 39 ar 24 47 1 1 25 1 35 1 26 1 46 1 27 29 42 1 28 12 52 1 29 12 53 1 30 18 40 1 31 59 9 1 32 43 40 1 33 43 31 1 34 43 28 1 35 40 13 1 36 44 46 ar 37 44 45 ar 38 57 7 1 39 9 7 ar 40 9 11 ar 41 39 19 ar 42 46 5 ar 43 61 11 1 44 31 42 1 45 7 20 ar 46 11 10 ar 47 42 22 2 48 42 27 1 49 20 13 1 50 20 8 ar 51 34 28 1 52 10 60 1 53 10 8 ar 54 45 19 ar 55 45 37 ar 56 19 36 1 57 13 56 1 58 13 55 1 59 8 58 1 60 5 51 1 61 5 37 ar 62 33 27 1 63 16 36 1 64 36 17 1