@MOLECULE 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate) 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.2408 1.1587 0.1700 P.3 1 UNL1 0.3552 2 O -0.5456 -1.0328 -1.3682 O.3 1 UNL1 -0.4000 3 O 1.4296 -3.2529 0.3878 O.3 1 UNL1 -0.5474 4 O -3.0624 0.2738 -0.4181 O.3 1 UNL1 -0.1965 5 O -4.6965 0.3439 1.4644 O.3 1 UNL1 -0.3324 6 O -3.5773 2.4331 0.8797 O.3 1 UNL1 -0.4330 7 O -5.2154 1.4111 -0.8743 O.2 1 UNL1 -0.2535 8 N 1.4743 -0.0826 -0.7397 N.ar 1 UNL1 -0.3878 9 N -1.1235 -3.8636 -0.1127 N.3 1 UNL1 -0.6129 10 N 2.0548 2.1108 -0.8705 N.ar 1 UNL1 -0.3507 11 N 3.5183 -0.9526 0.3723 N.ar 1 UNL1 -0.5497 12 N 5.1502 0.7803 0.8050 N.ar 1 UNL1 -0.5700 13 N 4.8415 3.0292 0.2486 N.pl3 1 UNL1 -0.5475 14 C -0.8681 -2.5404 0.4623 C.3 1 UNL1 -0.0062 15 C 0.6270 -2.1091 0.4299 C.3 1 UNL1 0.0293 16 C -1.5320 -1.4461 -0.4133 C.3 1 UNL1 0.0659 17 C 0.7479 -1.3394 -0.9205 C.3 1 UNL1 0.2345 18 C -1.9759 -0.2216 0.4017 C.3 1 UNL1 -0.0824 19 C 2.7363 0.0174 -0.1746 C.ar 1 UNL1 0.2703 20 C 1.1050 1.2213 -1.1547 C.ar 1 UNL1 0.1581 21 C 3.0907 1.4049 -0.2613 C.ar 1 UNL1 -0.1914 22 C 4.3639 1.7594 0.2603 C.ar 1 UNL1 0.4680 23 C 4.7031 -0.4978 0.8349 C.ar 1 UNL1 0.3080 24 H -1.2632 -2.5386 1.5062 H 1 UNL1 0.1620 25 H 0.9052 -1.4895 1.3064 H 1 UNL1 0.1468 26 H -2.3585 -1.8394 -1.0553 H 1 UNL1 0.1948 27 H 1.2309 -1.9400 -1.7336 H 1 UNL1 0.1716 28 H -1.1808 0.5526 0.4343 H 1 UNL1 0.1455 29 H -2.2517 -0.4996 1.4365 H 1 UNL1 0.1475 30 H -0.6903 -4.5924 0.4395 H 1 UNL1 0.2637 31 H -0.7682 -3.9379 -1.0561 H 1 UNL1 0.2568 32 H 2.3821 -2.9613 0.4515 H 1 UNL1 0.3615 33 H 0.1548 1.4160 -1.6383 H 1 UNL1 0.2184 34 H 5.3839 -1.2412 1.2873 H 1 UNL1 0.2015 35 H 4.2938 3.7667 -0.1533 H 1 UNL1 0.3292 36 H 5.7471 3.2388 0.6222 H 1 UNL1 0.3244 37 H -5.1727 0.9931 2.1018 H 1 UNL1 0.3184 38 H -3.4518 3.1788 0.1984 H 1 UNL1 0.3300 @BOND 1 27 17 1 2 33 20 1 3 2 17 1 4 2 16 1 5 20 10 ar 6 20 8 ar 7 31 9 1 8 26 16 1 9 17 8 1 10 17 15 1 11 7 1 2 12 10 21 ar 13 8 19 ar 14 4 1 1 15 4 18 1 16 16 18 1 17 16 14 1 18 21 19 ar 19 21 22 ar 20 19 11 ar 21 35 13 1 22 9 30 1 23 9 14 1 24 1 6 1 25 1 5 1 26 38 6 1 27 13 22 1 28 13 36 1 29 22 12 ar 30 11 23 ar 31 3 15 1 32 3 32 1 33 18 28 1 34 18 29 1 35 15 14 1 36 15 25 1 37 14 24 1 38 12 23 ar 39 23 34 1 40 5 37 1