@MOLECULE 5'-o-{[({3-[3-(bromoacetyl)-1-pyridiniumyl]propoxy}phosphinato)oxy](hydroxy)phosphoryl}adenosine 65 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR 5.8974 -1.4463 0.0587 Br 1 UNL1 -0.0397 2 P -5.5814 -0.9083 0.3019 P.3 1 UNL1 0.2519 3 P -3.9351 1.6745 0.7482 P.3 1 UNL1 0.1985 4 O -1.5857 -1.4447 -2.5002 O.3 1 UNL1 -0.4156 5 O 0.2344 -2.1466 0.4527 O.3 1 UNL1 -0.5893 6 O -1.5286 -3.8563 -0.4515 O.3 1 UNL1 -0.5965 7 O -4.5612 -1.7550 -0.6172 O.3 1 UNL1 -0.3258 8 O -5.0328 0.4579 0.8125 O.3 1 UNL1 -0.1950 9 O -6.7803 -0.5362 -0.6956 O.3 1 UNL1 -0.3653 10 O -5.9799 -1.8643 1.3318 O.2 1 UNL1 -0.2143 11 O -2.5640 0.8947 1.1918 O.3 1 UNL1 -0.4103 12 O -4.5313 2.4778 1.8210 O.3 1 UNL1 -0.2389 13 O -3.5740 2.0444 -0.6277 O.2 1 UNL1 -0.3259 14 O 3.8889 -1.7155 2.9303 O.2 1 UNL1 -0.3522 15 N -0.0447 0.1341 -1.8197 N.ar 1 UNL1 -0.3728 16 N -0.1443 2.4027 -1.9377 N.ar 1 UNL1 -0.3667 17 N 2.4364 -0.1210 -1.8953 N.ar 1 UNL1 -0.5133 18 N 3.5835 2.0052 -2.0511 N.ar 1 UNL1 -0.5756 19 N 2.4852 4.0784 -1.9658 N.pl3 1 UNL1 -0.5673 20 N 1.2923 1.5529 1.5111 N.pl3 1 UNL1 -0.0762 21 C -0.8549 -1.5974 -0.2272 C.3 1 UNL1 0.0624 22 C -2.0613 -2.5442 -0.4066 C.3 1 UNL1 0.0812 23 C -0.4473 -1.2652 -1.6938 C.3 1 UNL1 0.2497 24 C -2.6068 -2.1808 -1.7987 C.3 1 UNL1 0.0410 25 C -3.8658 -1.2828 -1.7667 C.3 1 UNL1 -0.0375 26 C 1.2670 0.5745 -1.8861 C.ar 1 UNL1 0.2531 27 C -0.8720 1.2900 -1.8842 C.ar 1 UNL1 0.2077 28 C 1.1926 2.0081 -1.9361 C.ar 1 UNL1 -0.2124 29 C 2.4177 2.7114 -2.0122 C.ar 1 UNL1 0.4347 30 C 3.5356 0.6476 -2.0180 C.ar 1 UNL1 0.2716 31 C -0.8431 1.3154 2.7874 C.3 1 UNL1 -0.3480 32 C -0.1851 1.6975 1.4598 C.3 1 UNL1 -0.1224 33 C -2.1719 0.5425 2.4957 C.3 1 UNL1 0.0392 34 C 1.8288 0.3088 1.6337 C.2 1 UNL1 0.0429 35 C 2.0959 2.6476 1.4022 C.2 1 UNL1 0.0206 36 C 3.2117 0.1431 1.6715 C.2 1 UNL1 -0.1699 37 C 3.4811 2.5150 1.4388 C.2 1 UNL1 -0.1703 38 C 4.0533 1.2496 1.5832 C.3 1 UNL1 -0.0194 39 C 3.7539 -1.2437 1.8351 C.2 1 UNL1 0.4542 40 C 4.0949 -1.9653 0.5729 C.3 1 UNL1 -0.3626 41 H -1.1371 -0.6942 0.3633 H 1 UNL1 0.1842 42 H -2.7950 -2.4710 0.4246 H 1 UNL1 0.1924 43 H 0.3659 -1.9257 -2.0898 H 1 UNL1 0.1740 44 H -2.7568 -3.0872 -2.4230 H 1 UNL1 0.1546 45 H -3.5728 -0.2143 -1.7664 H 1 UNL1 0.1584 46 H -4.4988 -1.4677 -2.6583 H 1 UNL1 0.1305 47 H 0.2572 -3.1278 0.3231 H 1 UNL1 0.3626 48 H -2.1733 -4.4982 -0.0892 H 1 UNL1 0.3423 49 H -1.9682 1.2239 -1.8787 H 1 UNL1 0.2654 50 H 4.5067 0.1301 -2.1061 H 1 UNL1 0.2040 51 H 3.3549 4.5310 -2.1864 H 1 UNL1 0.3152 52 H 1.6367 4.5955 -2.1456 H 1 UNL1 0.3287 53 H -6.8248 0.4791 -0.8043 H 1 UNL1 0.3201 54 H -0.1937 0.6980 3.4277 H 1 UNL1 0.1364 55 H -1.0767 2.2251 3.3713 H 1 UNL1 0.1578 56 H -0.4676 2.7355 1.1577 H 1 UNL1 0.1957 57 H -0.5623 1.0523 0.6132 H 1 UNL1 0.2171 58 H -2.9072 0.7357 3.3002 H 1 UNL1 0.1395 59 H -1.9844 -0.5504 2.4487 H 1 UNL1 0.1122 60 H 1.1317 -0.5593 1.6864 H 1 UNL1 0.2491 61 H 1.6113 3.6312 1.2719 H 1 UNL1 0.2147 62 H 4.1141 3.4030 1.3363 H 1 UNL1 0.2011 63 H 5.1434 1.1394 1.6249 H 1 UNL1 0.1939 64 H 4.0934 -3.0648 0.7124 H 1 UNL1 0.2020 65 H 3.4127 -1.7333 -0.2723 H 1 UNL1 0.2223 @BOND 1 46 25 1 2 4 24 1 3 4 23 1 4 44 24 1 5 51 19 1 6 52 19 1 7 50 30 1 8 43 23 1 9 18 30 ar 10 18 29 ar 11 30 17 ar 12 29 19 1 13 29 28 ar 14 16 28 ar 15 16 27 ar 16 28 26 ar 17 17 26 ar 18 26 15 ar 19 27 49 1 20 27 15 ar 21 15 23 1 22 24 25 1 23 24 22 1 24 25 45 1 25 25 7 1 26 23 21 1 27 53 9 1 28 9 2 1 29 13 3 2 30 7 2 1 31 6 22 1 32 6 48 1 33 22 21 1 34 22 42 1 35 65 40 1 36 21 41 1 37 21 5 1 38 1 40 1 39 2 8 1 40 2 10 2 41 47 5 1 42 40 64 1 43 40 39 1 44 57 32 1 45 3 8 1 46 3 11 1 47 3 12 1 48 56 32 1 49 11 33 1 50 61 35 1 51 62 37 1 52 35 37 2 53 35 20 1 54 37 38 1 55 32 20 1 56 32 31 1 57 20 34 1 58 38 63 1 59 38 36 1 60 34 36 2 61 34 60 1 62 36 39 1 63 39 14 2 64 59 33 1 65 33 31 1 66 33 58 1 67 31 55 1 68 31 54 1