@MOLECULE n-{4-[(bromoacetyl)amino]benzyl}adenosine 5'-(dihydrogen phosphate) 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -7.3450 0.7983 -1.4346 Br 1 UNL1 -0.0496 2 P 6.2152 -2.7952 -0.7432 P.3 1 UNL1 0.3389 3 O 5.0869 0.8230 -1.1560 O.3 1 UNL1 -0.4437 4 O 5.0111 4.0525 -0.2266 O.3 1 UNL1 -0.5434 5 O 7.2799 2.8574 0.1323 O.3 1 UNL1 -0.5398 6 O 6.7315 -1.5595 0.1353 O.3 1 UNL1 -0.3067 7 O 5.1461 -2.2841 -1.8133 O.3 1 UNL1 -0.3934 8 O 5.3452 -3.7179 0.2169 O.3 1 UNL1 -0.3231 9 O 7.3813 -3.4743 -1.2715 O.2 1 UNL1 -0.1485 10 O -9.4703 -1.3284 0.7301 O.2 1 UNL1 -0.4839 11 N 2.9108 1.4434 -0.6079 N.ar 1 UNL1 -0.3775 12 N 0.6764 1.1089 -0.9181 N.ar 1 UNL1 -0.3376 13 N 3.0927 0.5519 1.7075 N.ar 1 UNL1 -0.5514 14 N -1.0411 -0.1049 1.4625 N.pl3 1 UNL1 -0.4505 15 N 0.9771 -0.2171 2.5908 N.ar 1 UNL1 -0.5798 16 N -7.3385 -1.0760 1.3464 N.am 1 UNL1 -0.5942 17 C 4.8662 2.7481 0.2661 C.3 1 UNL1 0.0381 18 C 6.2167 2.0466 0.5645 C.3 1 UNL1 0.0614 19 C 4.2494 1.9280 -0.9028 C.3 1 UNL1 0.2704 20 C 6.1575 0.7222 -0.2128 C.3 1 UNL1 0.0295 21 C 5.9319 -0.5085 0.6765 C.3 1 UNL1 -0.0598 22 C 2.4323 0.8747 0.5662 C.ar 1 UNL1 0.3018 23 C 1.7920 1.5551 -1.4815 C.ar 1 UNL1 0.1347 24 C 1.0227 0.6774 0.3627 C.ar 1 UNL1 -0.2073 25 C 0.2904 0.1201 1.4460 C.ar 1 UNL1 0.4531 26 C 2.3041 0.0067 2.6642 C.ar 1 UNL1 0.3049 27 C -1.8923 0.2631 0.3200 C.3 1 UNL1 -0.0781 28 C -3.3146 -0.1146 0.6183 C.ar 1 UNL1 -0.0680 29 C -4.1066 0.7239 1.4069 C.ar 1 UNL1 -0.1042 30 C -3.8458 -1.2955 0.0981 C.ar 1 UNL1 -0.1018 31 C -5.4348 0.3994 1.6558 C.ar 1 UNL1 -0.2069 32 C -5.1745 -1.6329 0.3405 C.ar 1 UNL1 -0.2117 33 C -5.9724 -0.7703 1.1010 C.ar 1 UNL1 0.1994 34 C -8.3268 -1.1457 0.3710 C.2 1 UNL1 0.5817 35 C -7.9563 -1.0134 -1.0804 C.3 1 UNL1 -0.3460 36 H 5.9123 4.4051 -0.0200 H 1 UNL1 0.3452 37 H 7.3598 2.8564 -0.8487 H 1 UNL1 0.3263 38 H 4.9490 -1.2906 -1.6960 H 1 UNL1 0.3307 39 H 4.4113 -3.3199 0.3325 H 1 UNL1 0.3037 40 H -1.4770 -0.5173 2.2810 H 1 UNL1 0.3372 41 H -7.6426 -1.0821 2.3194 H 1 UNL1 0.3333 42 H 4.2087 2.8099 1.1594 H 1 UNL1 0.1739 43 H 6.4168 1.9351 1.6510 H 1 UNL1 0.1731 44 H 4.2262 2.5068 -1.8651 H 1 UNL1 0.1721 45 H 7.0599 0.5830 -0.8613 H 1 UNL1 0.1787 46 H 6.3869 -0.3776 1.6848 H 1 UNL1 0.1525 47 H 4.8535 -0.7111 0.8192 H 1 UNL1 0.1583 48 H 1.8829 1.9616 -2.4779 H 1 UNL1 0.2011 49 H 2.8003 -0.2853 3.6078 H 1 UNL1 0.2017 50 H -1.5126 -0.2357 -0.6105 H 1 UNL1 0.1794 51 H -1.7945 1.3603 0.1143 H 1 UNL1 0.1762 52 H -3.6849 1.6410 1.8214 H 1 UNL1 0.1646 53 H -3.2216 -1.9589 -0.4994 H 1 UNL1 0.1626 54 H -6.0607 1.0578 2.2558 H 1 UNL1 0.1699 55 H -5.5829 -2.5647 -0.0448 H 1 UNL1 0.1663 56 H -7.1624 -1.7095 -1.3936 H 1 UNL1 0.1845 57 H -8.8450 -1.1928 -1.7193 H 1 UNL1 0.2014 @BOND 1 48 23 1 2 44 19 1 3 7 38 1 4 7 2 1 5 57 35 1 6 23 12 ar 7 23 11 ar 8 1 35 1 9 56 35 1 10 9 2 2 11 3 19 1 12 3 20 1 13 35 34 1 14 12 24 ar 15 19 11 1 16 19 17 1 17 45 20 1 18 37 5 1 19 2 6 1 20 2 8 1 21 50 27 1 22 11 22 ar 23 53 30 1 24 4 36 1 25 4 17 1 26 20 18 1 27 20 21 1 28 55 32 1 29 30 32 ar 30 30 28 ar 31 51 27 1 32 5 18 1 33 6 21 1 34 8 39 1 35 17 18 1 36 17 42 1 37 27 28 1 38 27 14 1 39 32 33 ar 40 24 22 ar 41 24 25 ar 42 34 10 2 43 34 16 am 44 18 43 1 45 22 13 ar 46 28 29 ar 47 21 47 1 48 21 46 1 49 33 16 1 50 33 31 ar 51 16 41 1 52 29 31 ar 53 29 52 1 54 25 14 1 55 25 15 ar 56 14 40 1 57 31 54 1 58 13 26 ar 59 15 26 ar 60 26 49 1