@MOLECULE 5'-o-[({[dibromo(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-n,n-diethyladenosine 61 63 0 0 0 SMALL USER_CHARGES @ATOM 1 N -7.5313 -0.1861 -0.0471 N.2 1 UNL111 -0.5880 2 C -7.0134 -1.4127 0.1618 C.1 1 UNL111 0.3085 3 N -5.7507 -1.7036 0.5465 N.2 1 UNL111 -0.5654 4 C -4.9798 -0.5998 0.7384 C.2 1 UNL111 0.2736 5 C -5.4109 0.7570 0.5547 C.2 1 UNL111 -0.1894 6 C -6.7669 0.9447 0.1465 C.2 1 UNL111 0.4546 7 N -7.3809 2.1439 0.0021 N.pl3 1 UNL111 -0.3618 8 N -4.3457 1.6096 0.8459 N.2 1 UNL111 -0.3548 9 C -3.3151 0.8410 1.1909 C.2 1 UNL111 0.1409 10 N -3.6520 -0.5316 1.1315 N.pl3 1 UNL111 -0.3831 11 C -2.8210 -1.6863 1.4727 C.3 1 UNL111 0.2479 12 C -2.8705 -2.7644 0.3430 C.3 1 UNL111 0.0354 13 O -3.6411 -3.8529 0.7603 O.3 1 UNL111 -0.5553 14 C -1.3877 -3.1859 0.2113 C.3 1 UNL111 0.0895 15 O -1.0176 -4.1888 1.1247 O.3 1 UNL111 -0.5428 16 C -0.6465 -1.8995 0.6353 C.3 1 UNL111 0.0502 17 O -1.4966 -1.2304 1.5829 O.3 1 UNL111 -0.4254 18 C -0.4026 -0.9120 -0.5182 C.3 1 UNL111 -0.0831 19 O 1.0174 -0.8373 -0.7474 O.3 1 UNL111 -0.2501 20 C -8.8858 2.0302 -1.9918 C.3 1 UNL111 -0.4651 21 C -8.7756 2.2058 -0.4752 C.3 1 UNL111 -0.0413 22 C -6.6044 3.3948 -0.0169 C.3 1 UNL111 -0.0527 23 C -5.8108 3.5743 -1.3134 C.3 1 UNL111 -0.4645 24 O 5.8871 0.4304 2.2802 O.3 1 UNL111 -0.3382 25 BR 2.1936 0.3703 1.1623 Br 1 UNL111 0.0370 26 O 4.3322 -1.8801 0.5735 O.3 1 UNL111 -0.4099 27 O 1.3440 -2.9804 -2.2943 O.2 1 UNL111 -0.2131 28 O 6.0857 2.5162 0.9057 O.2 1 UNL111 -0.2507 29 P 5.1439 1.5334 1.4093 P.3 1 UNL111 0.3109 30 C 3.9401 0.6602 0.1816 C.3 1 UNL111 0.1515 31 P 4.3934 -0.9577 -0.7236 P.3 1 UNL111 0.3363 32 O 3.2327 -1.4178 -1.6899 O.3 1 UNL111 -0.2015 33 P 1.6825 -1.6040 -1.9870 P.3 1 UNL111 0.3306 34 O 3.9824 2.0787 2.3630 O.3 1 UNL111 -0.4252 35 BR 3.4714 2.0151 -1.2467 Br 1 UNL111 -0.0223 36 O 5.5763 -1.0387 -1.5596 O.2 1 UNL111 -0.2105 37 O 1.4707 -0.6733 -3.2582 O.3 1 UNL111 -0.3346 38 H -7.6942 -2.2661 -0.0083 H 1 UNL111 0.2000 39 H -2.3323 1.1758 1.4900 H 1 UNL111 0.2068 40 H -3.1106 -2.0818 2.4790 H 1 UNL111 0.1724 41 H -3.2764 -2.3676 -0.6121 H 1 UNL111 0.1519 42 H -4.5981 -3.5611 0.7847 H 1 UNL111 0.3721 43 H -1.1152 -3.5643 -0.7952 H 1 UNL111 0.1663 44 H -1.8156 -4.6755 1.4352 H 1 UNL111 0.3439 45 H 0.2734 -2.1260 1.2222 H 1 UNL111 0.1897 46 H -1.0434 -1.1188 -1.3946 H 1 UNL111 0.1379 47 H -0.6285 0.1295 -0.1873 H 1 UNL111 0.1517 48 H -8.3795 2.8305 -2.5392 H 1 UNL111 0.1459 49 H -8.4417 1.0744 -2.3069 H 1 UNL111 0.1702 50 H -9.9348 2.0159 -2.3071 H 1 UNL111 0.1510 51 H -9.3636 1.4035 0.0401 H 1 UNL111 0.1716 52 H -9.2100 3.1794 -0.1577 H 1 UNL111 0.1361 53 H -7.3058 4.2462 0.1314 H 1 UNL111 0.1415 54 H -5.9067 3.4008 0.8601 H 1 UNL111 0.1791 55 H -5.0718 2.7697 -1.4381 H 1 UNL111 0.1668 56 H -6.4549 3.5752 -2.1976 H 1 UNL111 0.1475 57 H -5.2510 4.5169 -1.2967 H 1 UNL111 0.1564 58 H 5.2918 -0.3946 2.4131 H 1 UNL111 0.3213 59 H 4.4093 -2.8634 0.3082 H 1 UNL111 0.3372 60 H 4.3636 2.7630 3.0153 H 1 UNL111 0.3294 61 H 1.8697 0.2537 -3.0997 H 1 UNL111 0.3150 @BOND 1 37 61 1 2 37 33 1 3 48 20 1 4 50 20 1 5 49 20 1 6 27 33 2 7 56 23 1 8 20 21 1 9 33 32 1 10 33 19 1 11 32 31 1 12 36 31 2 13 55 23 1 14 46 18 1 15 23 57 1 16 23 22 1 17 35 30 1 18 43 14 1 19 19 18 1 20 31 30 1 21 31 26 1 22 41 12 1 23 18 47 1 24 18 16 1 25 21 52 1 26 21 7 1 27 21 51 1 28 1 6 2 29 1 2 2 30 22 7 1 31 22 53 1 32 22 54 1 33 38 2 1 34 7 6 1 35 6 5 1 36 2 3 2 37 30 25 1 38 30 29 1 39 14 12 1 40 14 16 1 41 14 15 1 42 59 26 1 43 12 13 1 44 12 11 1 45 3 4 2 46 5 4 1 47 5 8 2 48 16 45 1 49 16 17 1 50 4 10 1 51 13 42 1 52 8 9 2 53 28 29 2 54 15 44 1 55 10 9 1 56 10 11 1 57 9 39 1 58 29 24 1 59 29 34 1 60 11 17 1 61 11 40 1 62 24 58 1 63 34 60 1