@MOLECULE 2,4-dioxo-1-{[1-(beta-d-ribofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-1,2,3,4-tetrahydropyrimidine 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.0063 -1.5347 -0.1659 C.ar 1 UNL1 0.6230 2 C 3.7442 -0.8862 -1.4361 C.ar 1 UNL1 -0.4307 3 C 3.2146 0.3598 -1.5019 C.ar 1 UNL1 0.1719 4 C 2.2132 2.3615 -0.4103 C.3 1 UNL1 -0.0277 5 C 0.7589 2.1103 -0.2954 C.ar 1 UNL1 -0.0902 6 C 0.0224 1.6159 0.7841 C.ar 1 UNL1 -0.0356 7 N 2.9458 1.0785 -0.3488 N.ar 1 UNL1 -0.4436 8 N 3.6352 -0.7786 0.9879 N.ar 1 UNL1 -0.6199 9 O 2.7021 1.0853 1.9259 O.2 1 UNL1 -0.5293 10 C 3.0717 0.4902 0.9347 C.ar 1 UNL1 0.7015 11 O 4.4851 -2.6248 0.0325 O.2 1 UNL1 -0.4682 12 N -0.1327 2.2705 -1.3669 N.ar 1 UNL1 -0.1842 13 N -1.3073 1.8882 -1.0168 N.ar 1 UNL1 -0.0441 14 N -1.2767 1.4961 0.3002 N.ar 1 UNL1 -0.2518 15 C1* -2.3151 0.6624 0.9219 C.3 1 UNL1 0.2405 16 O4* -1.8071 -0.6485 0.9075 O.3 1 UNL1 -0.4190 17 C4* -2.3974 -1.4044 -0.1615 C.3 1 UNL1 0.0285 18 C5* -2.3285 -2.8566 0.3015 C.3 1 UNL1 -0.0204 19 O5* -1.0724 -3.4107 -0.0214 O.3 1 UNL1 -0.5252 20 C3* -3.8170 -0.8222 -0.3179 C.3 1 UNL1 0.0875 21 O3* -4.1038 -0.8804 -1.6895 O.3 1 UNL1 -0.5278 22 C2* -3.6632 0.6524 0.1474 C.3 1 UNL1 0.0429 23 O2* -4.7011 0.8861 1.0622 O.3 1 UNL1 -0.5406 24 H 3.9989 -1.4587 -2.3260 H 1 UNL1 0.2055 25 H 2.9910 0.8638 -2.4530 H 1 UNL1 0.1786 26 H 2.4672 2.8940 -1.3590 H 1 UNL1 0.1735 27 H 2.5663 3.0145 0.4337 H 1 UNL1 0.1885 28 H 0.3159 1.3685 1.7887 H 1 UNL1 0.2161 29 H 3.7769 -1.1930 1.9116 H 1 UNL1 0.3465 30 H1* -2.4150 0.9334 2.0035 H 1 UNL1 0.1803 31 H4* -1.7936 -1.2380 -1.0856 H 1 UNL1 0.1750 32 H5*1 -2.4978 -2.9543 1.3906 H 1 UNL1 0.1396 33 H5*2 -3.0395 -3.4978 -0.2563 H 1 UNL1 0.1574 34 H5* -0.3489 -2.8223 0.2870 H 1 UNL1 0.3198 35 H3* -4.5933 -1.3570 0.2664 H 1 UNL1 0.1531 36 H3* -5.0406 -0.6445 -1.8609 H 1 UNL1 0.3251 37 H2* -3.7088 1.3643 -0.7024 H 1 UNL1 0.1747 38 H2* -4.9054 1.8424 1.1330 H 1 UNL1 0.3290 @BOND 1 25 3 1 2 24 2 1 3 36 21 1 4 21 20 1 5 3 2 ar 6 3 7 ar 7 2 1 ar 8 12 13 ar 9 12 5 ar 10 26 4 1 11 31 17 1 12 13 14 ar 13 37 22 1 14 4 7 1 15 4 5 1 16 4 27 1 17 7 10 ar 18 20 17 1 19 20 22 1 20 20 35 1 21 5 6 ar 22 33 18 1 23 1 11 2 24 1 8 ar 25 17 18 1 26 17 16 1 27 19 34 1 28 19 18 1 29 22 15 1 30 22 23 1 31 14 6 ar 32 14 15 1 33 18 32 1 34 6 28 1 35 16 15 1 36 15 30 1 37 10 8 ar 38 10 9 2 39 8 29 1 40 23 38 1