@MOLECULE 5'-o-[(2-bromoethoxy)(hydroxy)phosphoryl]adenosine 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.4671 0.8701 -0.4211 C.3 1 UNL1 0.2424 2 C 1.6474 0.6310 -1.9525 C.3 1 UNL1 0.0295 3 C -0.5943 0.0766 -1.1973 C.3 1 UNL1 0.0351 4 C 0.1996 0.4682 -2.4670 C.3 1 UNL1 0.0914 5 C 2.2053 -0.8864 1.3495 C.ar 1 UNL1 0.1556 6 C 5.8622 0.7628 -0.5914 C.ar 1 UNL1 0.3081 7 C -0.8686 -1.4292 -1.0969 C.3 1 UNL1 -0.0436 8 C -4.4701 -0.1949 1.0262 C.3 1 UNL1 -0.0128 9 C -3.3550 0.4541 1.8409 C.3 1 UNL1 -0.2777 10 H 3.1679 1.8394 -2.1955 H 1 UNL1 0.3701 11 H 0.2893 2.3838 -2.9552 H 1 UNL1 0.3460 12 H 7.4749 -1.7351 1.9079 H 1 UNL1 0.3249 13 H 5.9761 -2.2828 2.5771 H 1 UNL1 0.3292 14 C 5.7913 -0.8628 1.1099 C.ar 1 UNL1 0.4684 15 O -3.9332 -1.6843 -1.8748 O.2 1 UNL1 -0.2333 16 O 2.2301 1.7617 -2.5344 O.3 1 UNL1 -0.5513 17 O -0.3633 1.6456 -2.9783 O.3 1 UNL1 -0.5311 18 O -3.4451 -3.6188 -0.3152 O.3 1 UNL1 -0.2846 19 O -1.9270 -1.6077 -0.1474 O.3 1 UNL1 -0.3146 20 O -4.1504 -1.5739 0.7747 O.3 1 UNL1 -0.2745 21 H -3.1654 -3.8100 0.6564 H 1 UNL1 0.3108 22 O 0.1855 0.4435 -0.0495 O.3 1 UNL1 -0.4041 23 N 6.4735 -1.7001 1.9301 N.pl3 1 UNL1 -0.5458 24 N 3.3483 -1.3941 1.8094 N.ar 1 UNL1 -0.3502 25 N 4.5262 0.9320 -0.6942 N.ar 1 UNL1 -0.5509 26 N 6.5104 -0.0792 0.2481 N.ar 1 UNL1 -0.5693 27 P -3.4127 -2.0499 -0.5723 P.3 1 UNL1 0.3243 28 BR -2.9761 2.2685 1.2142 Br 1 UNL1 -0.1158 29 C 3.8085 0.1613 0.1676 C.ar 1 UNL1 0.2681 30 C 4.3733 -0.7690 1.1017 C.ar 1 UNL1 -0.1926 31 N 2.4353 0.0741 0.3345 N.ar 1 UNL1 -0.3810 32 H 1.5551 1.9483 -0.1268 H 1 UNL1 0.1750 33 H 2.2710 -0.2605 -2.1772 H 1 UNL1 0.1480 34 H -1.5159 0.6983 -1.0967 H 1 UNL1 0.1942 35 H 0.1107 -0.2699 -3.2912 H 1 UNL1 0.1529 36 H 1.2047 -1.1369 1.6785 H 1 UNL1 0.2145 37 H -1.0158 -1.8833 -2.0966 H 1 UNL1 0.1449 38 H -0.0270 -1.9555 -0.5890 H 1 UNL1 0.1464 39 H 6.4984 1.3692 -1.2609 H 1 UNL1 0.2024 40 H -5.3900 -0.3424 1.6430 H 1 UNL1 0.1443 41 H -4.7657 0.3886 0.1299 H 1 UNL1 0.1553 42 H -3.6123 0.5379 2.9060 H 1 UNL1 0.1559 43 H -2.3977 -0.1009 1.7721 H 1 UNL1 0.1956 @BOND 1 35 4 1 2 17 11 1 3 17 4 1 4 16 10 1 5 16 2 1 6 4 2 1 7 4 3 1 8 33 2 1 9 37 7 1 10 2 1 1 11 15 27 2 12 39 6 1 13 3 7 1 14 3 34 1 15 3 22 1 16 7 38 1 17 7 19 1 18 25 6 ar 19 25 29 ar 20 6 26 ar 21 27 18 1 22 27 19 1 23 27 20 1 24 1 32 1 25 1 22 1 26 1 31 1 27 18 21 1 28 41 8 1 29 29 31 ar 30 29 30 ar 31 26 14 ar 32 31 5 ar 33 20 8 1 34 8 40 1 35 8 9 1 36 30 14 ar 37 30 24 ar 38 14 23 1 39 28 9 1 40 5 36 1 41 5 24 ar 42 43 9 1 43 9 42 1 44 12 23 1 45 23 13 1