@MOLECULE 4-amino-1-[(2R,3R,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-3-ium-2-one 31 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.0080 -1.1884 1.0471 O.3 1 UNL1 -0.2257 2 O -3.5914 -0.0680 -0.9287 O.3 1 UNL1 -0.3894 3 O -1.4847 -3.9070 0.3577 O.3 1 UNL1 -0.3517 4 O 1.0457 2.1357 0.0616 O.2 1 UNL1 -0.4142 5 N 0.9553 -0.1076 0.3689 N.ar 1 UNL1 -0.3556 6 N -2.0856 1.8178 0.1709 N.2 1 UNL1 -0.4164 7 N 3.0197 0.9875 -0.2655 N.ar 1 UNL1 -0.8092 8 N -1.6470 2.9894 0.1745 N.2 1 UNL1 0.3961 9 N 4.9379 -0.2403 -0.5765 N.pl3 1 UNL1 -1.1352 10 N -1.4640 4.1009 0.2858 N.2 1 UNL1 -0.1444 11 C -1.2835 0.7343 -0.3800 C.3 1 UNL1 -0.2597 12 C -2.2398 -0.3981 -0.8786 C.3 1 UNL1 -0.2156 13 C -0.4587 0.0688 0.7706 C.3 1 UNL1 -0.0014 14 C -2.0182 -1.5634 0.1084 C.3 1 UNL1 0.1826 15 C -1.5428 -2.8482 -0.5725 C.3 1 UNL1 -0.5090 16 C 1.5751 -1.3213 0.4035 C.ar 1 UNL1 0.3461 17 C 1.6996 1.1164 0.0425 C.ar 1 UNL1 0.5842 18 C 2.9070 -1.4287 0.0829 C.ar 1 UNL1 -0.9752 19 C 3.6124 -0.2238 -0.2518 C.ar 1 UNL1 1.0511 20 H -0.6215 1.0625 -1.2216 H 1 UNL1 0.2793 21 H -2.0148 -0.6734 -1.9341 H 1 UNL1 0.2466 22 H -0.4968 0.6327 1.7391 H 1 UNL1 0.2587 23 H -2.9192 -1.7467 0.7403 H 1 UNL1 0.1455 24 H -0.5497 -2.7365 -1.0426 H 1 UNL1 0.1855 25 H -2.2730 -3.2074 -1.3252 H 1 UNL1 0.2885 26 H -3.8336 0.5904 -0.2331 H 1 UNL1 0.3647 27 H 0.9781 -2.2009 0.6927 H 1 UNL1 0.1859 28 H -1.0488 -3.6087 1.1846 H 1 UNL1 0.3368 29 H 3.4133 -2.3829 0.0923 H 1 UNL1 0.3359 30 H 5.4616 -1.0864 -0.5860 H 1 UNL1 0.5076 31 H 5.4113 0.6178 -0.7977 H 1 UNL1 0.5081 @BOND 1 21 12 1 2 25 15 1 3 20 11 1 4 24 15 1 5 2 12 1 6 2 26 1 7 12 11 1 8 12 14 1 9 31 9 1 10 30 9 1 11 9 19 1 12 15 14 1 13 15 3 1 14 11 6 1 15 11 13 1 16 7 19 ar 17 7 17 ar 18 19 18 ar 19 17 4 2 20 17 5 ar 21 18 29 1 22 18 16 ar 23 14 23 1 24 14 1 1 25 6 8 2 26 8 10 2 27 3 28 1 28 5 16 ar 29 5 13 1 30 16 27 1 31 13 1 1 32 13 22 1