@MOLECULE 5'-o-[(2-ammonioacetoxy)phosphinato]adenosine 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.4571 1.9483 0.0228 C.3 1 UNL1 0.0380 2 C 0.0081 2.4024 -0.1801 C.3 1 UNL1 0.0988 3 C -1.6425 0.8915 -1.1112 C.3 1 UNL1 0.2458 4 C 0.6625 1.1622 -0.8202 C.3 1 UNL1 0.0552 5 C -2.1004 -1.6272 -0.6622 C.ar 1 UNL1 0.1555 6 C -5.7471 0.6720 0.4627 C.ar 1 UNL1 0.3085 7 C 1.3290 0.2151 0.1958 C.3 1 UNL1 -0.0413 8 C 4.7958 -0.8628 -1.3632 C.3 1 UNL1 -0.3180 9 H -3.2573 2.7153 -0.1150 H 1 UNL1 0.3712 10 H -0.7230 3.9405 -1.1820 H 1 UNL1 0.3444 11 H -6.9782 -2.9510 1.1374 H 1 UNL1 0.3242 12 H -5.4969 -3.7127 0.6703 H 1 UNL1 0.3292 13 C -5.4910 -1.6670 0.5275 C.ar 1 UNL1 0.4692 14 O 4.8607 1.3407 0.8820 O.2 1 UNL1 -0.2805 15 O 4.9352 -2.8360 -0.1135 O.2 1 UNL1 -0.6675 16 O -2.3133 3.0327 -0.1903 O.3 1 UNL1 -0.5591 17 O 0.1284 3.4496 -1.1119 O.3 1 UNL1 -0.5476 18 C 4.6252 -1.6420 -0.0026 C.2 1 UNL1 0.6674 19 O 2.6918 0.6299 0.1339 O.3 1 UNL1 -0.3738 20 O 4.2115 -1.0987 1.0628 O.3 1 UNL1 -0.3073 21 H 6.1887 -1.6354 -2.7617 H 1 UNL1 0.2741 22 H 5.3914 -2.8185 -1.7925 H 1 UNL1 0.3523 23 H 4.6093 -2.0402 -3.1130 H 1 UNL1 0.2745 24 O -0.3745 0.4092 -1.4761 O.3 1 UNL1 -0.4363 25 N -6.0388 -2.8784 0.7968 N.pl3 1 UNL1 -0.5466 26 O 3.1505 0.3471 2.6863 O.3 1 UNL1 -0.2045 27 N -3.1185 -2.3800 -0.2471 N.ar 1 UNL1 -0.3459 28 N -4.5054 0.9471 0.0093 N.ar 1 UNL1 -0.5500 29 N -6.2630 -0.5533 0.7213 N.ar 1 UNL1 -0.5699 30 P 3.7383 0.5412 1.3708 P.3 1 UNL1 0.2362 31 C -3.7372 -0.1577 -0.1932 C.ar 1 UNL1 0.2711 32 C -4.1613 -1.5059 0.0529 C.ar 1 UNL1 -0.1928 33 N -2.4300 -0.2498 -0.6447 N.ar 1 UNL1 -0.3768 34 N 5.2860 -1.8944 -2.3619 N.4 1 UNL1 -0.2564 35 H -1.6344 1.5296 1.0357 H 1 UNL1 0.1541 36 H 0.5107 2.7434 0.7494 H 1 UNL1 0.1696 37 H -2.1109 1.3187 -2.0352 H 1 UNL1 0.1687 38 H 1.3562 1.4483 -1.6423 H 1 UNL1 0.1713 39 H 0.8563 0.2756 1.1950 H 1 UNL1 0.1439 40 H 1.2636 -0.8359 -0.1551 H 1 UNL1 0.1241 41 H -1.1267 -1.9740 -0.9782 H 1 UNL1 0.2073 42 H -6.4176 1.5311 0.6442 H 1 UNL1 0.2018 43 H 3.8301 -0.4174 -1.6854 H 1 UNL1 0.2096 44 H 5.5269 -0.0352 -1.2441 H 1 UNL1 0.2082 @BOND 1 23 34 1 2 21 34 1 3 34 22 1 4 34 8 1 5 37 3 1 6 43 8 1 7 38 4 1 8 24 3 1 9 24 4 1 10 8 44 1 11 8 18 1 12 10 17 1 13 17 2 1 14 3 33 1 15 3 1 1 16 41 5 1 17 4 2 1 18 4 7 1 19 5 33 ar 20 5 27 ar 21 33 31 ar 22 27 32 ar 23 31 28 ar 24 31 32 ar 25 16 9 1 26 16 1 1 27 2 1 1 28 2 36 1 29 40 7 1 30 15 18 2 31 18 20 1 32 28 6 ar 33 1 35 1 34 32 13 ar 35 19 7 1 36 19 30 1 37 7 39 1 38 6 42 1 39 6 29 ar 40 13 29 ar 41 13 25 1 42 12 25 1 43 25 11 1 44 14 30 2 45 20 30 1 46 30 26 1