@MOLECULE 5-bromo-2'-deoxy-5-ethyl-6-methoxy-5,6-dihydrouridine 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 BR -1.1904 0.5731 -1.7478 Br 1 UNL1111111111 -0.0745 2 O4* 2.2433 -0.0723 1.1364 O.3 1 UNL1111111111 -0.4607 3 O -0.8986 -0.0845 2.2690 O.3 1 UNL1111111111 -0.4148 4 O3* 4.4987 -0.6024 -1.2624 O.3 1 UNL1111111111 -0.5569 5 O5* 2.2940 2.6811 1.0741 O.3 1 UNL1111111111 -0.5346 6 O -0.0407 -3.3137 0.2967 O.2 1 UNL1111111111 -0.5180 7 O -3.8065 -0.7972 0.1416 O.2 1 UNL1111111111 -0.4402 8 N 0.2198 -1.0423 0.4548 N.am 1 UNL1111111111 -0.6191 9 N -1.9386 -2.0565 0.2020 N.am 1 UNL1111111111 -0.6241 10 C1* 1.6769 -1.2649 0.6476 C.3 1 UNL1111111111 0.3539 11 C2* 2.3465 -1.5994 -0.6960 C.3 1 UNL1111111111 -0.3878 12 C3* 3.1244 -0.3343 -1.0834 C.3 1 UNL1111111111 0.1247 13 C4* 3.0618 0.5749 0.1598 C.3 1 UNL1111111111 0.0466 14 C -0.4207 0.1660 0.9655 C.3 1 UNL1111111111 0.2820 15 C -1.7134 0.4120 0.1489 C.3 1 UNL1111111111 -0.0629 16 C -2.4777 1.6340 0.6277 C.3 1 UNL1111111111 -0.2634 17 C -0.5445 -2.2117 0.3417 C.2 1 UNL1111111111 0.7308 18 C5* 2.4500 1.9482 -0.1242 C.3 1 UNL1111111111 -0.0504 19 C -2.6022 -0.8230 0.1787 C.2 1 UNL1111111111 0.5724 20 C -1.6991 2.9415 0.5336 C.3 1 UNL1111111111 -0.4382 21 C -0.0102 0.2702 3.3133 C.3 1 UNL1111111111 -0.1853 22 H1* 1.8524 -2.0205 1.4545 H 1 UNL1111111111 0.1590 23 H2*1 1.6076 -1.8948 -1.4632 H 1 UNL1111111111 0.1845 24 H2*2 3.0248 -2.4667 -0.5833 H 1 UNL1111111111 0.1788 25 H3* 2.7408 0.1463 -2.0060 H 1 UNL1111111111 0.1326 26 H4* 4.0587 0.6612 0.6573 H 1 UNL1111111111 0.1782 27 H 0.2792 1.0359 0.9353 H 1 UNL1111111111 0.1714 28 H -2.7856 1.4585 1.6871 H 1 UNL1111111111 0.1768 29 H -3.4386 1.7248 0.0697 H 1 UNL1111111111 0.1780 30 H5*1 1.4634 1.8860 -0.6176 H 1 UNL1111111111 0.1335 31 H5*2 3.1256 2.5787 -0.7346 H 1 UNL1111111111 0.1552 32 H -2.4957 -2.9145 0.1463 H 1 UNL1111111111 0.3508 33 H3* 4.6423 -1.2403 -1.9879 H 1 UNL1111111111 0.3242 34 H -0.7438 2.9042 1.0694 H 1 UNL1111111111 0.1471 35 H -1.4853 3.2277 -0.5031 H 1 UNL1111111111 0.1554 36 H -2.2761 3.7662 0.9737 H 1 UNL1111111111 0.1542 37 H 0.1002 1.3575 3.3664 H 1 UNL1111111111 0.1241 38 H 0.9610 -0.2237 3.1987 H 1 UNL1111111111 0.1384 39 H -0.5285 -0.1081 4.2062 H 1 UNL1111111111 0.1588 40 H5* 2.0177 2.0795 1.7986 H 1 UNL1111111111 0.3194 @BOND 1 1 15 1 2 2 10 1 3 2 13 1 4 3 14 1 5 3 21 1 6 4 12 1 7 4 33 1 8 5 18 1 9 5 40 1 10 6 17 2 11 7 19 2 12 8 10 1 13 8 14 1 14 8 17 am 15 9 17 am 16 9 19 am 17 9 32 1 18 10 11 1 19 10 22 1 20 11 12 1 21 11 23 1 22 11 24 1 23 12 13 1 24 12 25 1 25 13 18 1 26 13 26 1 27 14 15 1 28 14 27 1 29 15 16 1 30 15 19 1 31 16 20 1 32 16 28 1 33 16 29 1 34 18 30 1 35 18 31 1 36 20 34 1 37 20 35 1 38 20 36 1 39 21 37 1 40 21 38 1 41 21 39 1