@MOLECULE 2'-o-(2-aminobenzoyl)adenosine 5'-(dihydrogen phosphate) 51 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.0565 0.7822 -0.9460 C.3 1 UNL1 0.2669 2 C -0.0703 -0.4029 0.0536 C.3 1 UNL1 0.0020 3 C -1.4625 -1.0176 -0.2304 C.3 1 UNL1 0.0812 4 C -2.1800 0.0606 -1.0675 C.3 1 UNL1 0.0179 5 C -0.3722 2.8917 0.4983 C.ar 1 UNL1 0.1397 6 C 3.8829 2.9683 -0.8078 C.ar 1 UNL1 0.3013 7 C 3.2644 -2.4077 -1.1094 C.ar 1 UNL1 0.0365 8 C 4.4871 -4.4035 0.4269 C.ar 1 UNL1 -0.3393 9 C 4.3769 -3.0704 -1.5925 C.ar 1 UNL1 -0.2924 10 C 4.9853 -4.0701 -0.8142 C.ar 1 UNL1 0.0022 11 C -3.2359 0.8769 -0.3002 C.3 1 UNL1 -0.0334 12 H -0.5727 -2.2832 -1.4695 H 1 UNL1 0.3318 13 H 3.7339 6.2474 1.2723 H 1 UNL1 0.3235 14 H 2.0673 6.0854 1.7042 H 1 UNL1 0.3279 15 H 2.0814 -3.5572 2.5602 H 1 UNL1 0.3372 16 H 3.3017 -4.7514 2.7354 H 1 UNL1 0.3059 17 C 2.7979 4.5753 0.5237 C.ar 1 UNL1 0.4669 18 C 2.7260 -2.7250 0.1492 C.ar 1 UNL1 -0.3395 19 C 3.3407 -3.7339 0.9346 C.ar 1 UNL1 0.3510 20 O 1.1476 -1.9670 1.7908 O.2 1 UNL1 -0.5432 21 O -4.8091 -1.0381 1.5643 O.2 1 UNL1 -0.2552 22 O -1.4139 -2.2088 -0.9657 O.3 1 UNL1 -0.5316 23 O -5.8434 -1.6825 -0.7679 O.3 1 UNL1 -0.3587 24 O -6.7199 0.2395 0.4848 O.3 1 UNL1 -0.2633 25 C 1.5774 -2.0016 0.6605 C.2 1 UNL1 0.6624 26 O 0.9532 -1.2940 -0.3397 O.3 1 UNL1 -0.4378 27 O -4.5171 0.3564 -0.6580 O.3 1 UNL1 -0.3436 28 H -5.0096 -2.1866 -1.0916 H 1 UNL1 0.3269 29 H -7.0971 0.4571 -0.4517 H 1 UNL1 0.3108 30 O -1.2021 0.9956 -1.5352 O.3 1 UNL1 -0.4144 31 N 2.8753 5.7338 1.2276 N.pl3 1 UNL1 -0.5525 32 N 2.8356 -4.0906 2.1554 N.pl3 1 UNL1 -0.6008 33 N 0.3121 3.9512 0.9207 N.ar 1 UNL1 -0.3367 34 N 2.8173 2.1544 -0.9622 N.ar 1 UNL1 -0.5076 35 N 3.9248 4.1316 -0.1117 N.ar 1 UNL1 -0.5730 36 P -5.3846 -0.5967 0.3095 P.3 1 UNL1 0.3583 37 C 1.6954 2.5959 -0.3398 C.ar 1 UNL1 0.2921 38 C 1.6073 3.8075 0.4256 C.ar 1 UNL1 -0.2032 39 N 0.4358 2.0154 -0.2720 N.ar 1 UNL1 -0.3777 40 H 0.7793 0.5775 -1.7844 H 1 UNL1 0.1928 41 H 0.0478 -0.0961 1.1163 H 1 UNL1 0.1818 42 H -2.0015 -1.3119 0.6982 H 1 UNL1 0.1812 43 H -2.6053 -0.3694 -2.0059 H 1 UNL1 0.1769 44 H -1.4148 2.6882 0.6888 H 1 UNL1 0.2005 45 H -3.0142 0.9516 0.7803 H 1 UNL1 0.1374 46 H -3.2991 1.9100 -0.7212 H 1 UNL1 0.1527 47 H 4.8238 2.6587 -1.2959 H 1 UNL1 0.2006 48 H 2.8007 -1.6136 -1.7052 H 1 UNL1 0.1693 49 H 4.9618 -5.1746 1.0243 H 1 UNL1 0.1627 50 H 4.7888 -2.8184 -2.5645 H 1 UNL1 0.1608 51 H 5.8680 -4.5823 -1.2020 H 1 UNL1 0.1443 @BOND 1 50 9 1 2 43 4 1 3 40 1 1 4 48 7 1 5 9 7 ar 6 9 10 ar 7 30 4 1 8 30 1 1 9 12 22 1 10 47 6 1 11 51 10 1 12 7 18 ar 13 28 23 1 14 4 11 1 15 4 3 1 16 22 3 1 17 34 6 ar 18 34 37 ar 19 1 39 1 20 1 2 1 21 10 8 ar 22 6 35 ar 23 23 36 1 24 46 11 1 25 27 11 1 26 27 36 1 27 29 24 1 28 37 39 ar 29 37 38 ar 30 26 2 1 31 26 25 1 32 11 45 1 33 39 5 ar 34 3 2 1 35 3 42 1 36 35 17 ar 37 2 41 1 38 18 25 1 39 18 19 ar 40 36 24 1 41 36 21 2 42 38 17 ar 43 38 33 ar 44 8 19 ar 45 8 49 1 46 5 44 1 47 5 33 ar 48 17 31 1 49 25 20 2 50 19 32 1 51 31 13 1 52 31 14 1 53 32 15 1 54 32 16 1