@MOLECULE 1-(3-azido-3-deoxy-alpha-d-ribofuranosyl)-5-(2-carboxyethyl)-2,4(1h,3h)-pyrimidinedione 39 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.9054 -0.1832 1.5568 O.3 1 UNL1 -0.4255 2 O 2.5251 1.0464 -1.7170 O.3 1 UNL1 -0.5207 3 O 3.0738 -2.2144 3.1084 O.3 1 UNL1 -0.5176 4 O 1.0621 3.5051 0.7859 O.2 1 UNL1 -0.4966 5 O -3.1864 2.4279 -0.3618 O.2 1 UNL1 -0.4599 6 O -5.7341 -1.5974 0.8336 O.3 1 UNL1 -0.5644 7 O -4.2642 -2.7329 -0.3940 O.2 1 UNL1 -0.5168 8 N 0.6320 1.3078 0.3069 N.ar 1 UNL1 -0.5085 9 N 1.9350 -1.5643 -1.3846 N.2 1 UNL1 -0.4879 10 N -1.0760 2.9746 0.1726 N.ar 1 UNL1 -0.6230 11 N 2.0652 -1.4340 -2.6199 N.2 1 UNL1 0.4510 12 N 1.9892 -1.4412 -3.7507 N.2 1 UNL1 -0.1695 13 C 2.9161 0.5731 -0.4691 C.3 1 UNL1 0.0565 14 C 2.9227 -0.9910 -0.4713 C.3 1 UNL1 -0.0339 15 C 1.9980 0.9491 0.7331 C.3 1 UNL1 0.2516 16 C 2.4439 -1.3619 0.9492 C.3 1 UNL1 0.0552 17 C 3.5935 -1.8107 1.8638 C.3 1 UNL1 -0.0380 18 C -0.3076 0.3209 0.0266 C.ar 1 UNL1 0.1378 19 C 0.2490 2.6675 0.4624 C.ar 1 UNL1 0.6947 20 C -1.6010 0.6322 -0.2349 C.ar 1 UNL1 -0.2716 21 C -2.6057 -0.4036 -0.6057 C.3 1 UNL1 -0.2148 22 C -2.0694 2.0115 -0.1694 C.ar 1 UNL1 0.6091 23 C -3.6737 -0.5379 0.4886 C.3 1 UNL1 -0.3414 24 C -4.5244 -1.7371 0.2291 C.2 1 UNL1 0.6488 25 H 3.9415 0.9870 -0.3356 H 1 UNL1 0.1669 26 H 3.9487 -1.3768 -0.6838 H 1 UNL1 0.1578 27 H 2.4202 1.7631 1.3826 H 1 UNL1 0.1937 28 H 1.6077 -2.1014 0.9613 H 1 UNL1 0.1836 29 H 4.3370 -1.0094 2.0233 H 1 UNL1 0.1307 30 H 4.0928 -2.7228 1.4838 H 1 UNL1 0.1544 31 H 0.0669 -0.7164 0.0038 H 1 UNL1 0.2028 32 H 1.5755 1.3115 -1.7274 H 1 UNL1 0.3398 33 H -1.3555 3.9586 0.2438 H 1 UNL1 0.3503 34 H -2.1254 -1.3902 -0.7931 H 1 UNL1 0.1680 35 H -3.0918 -0.1331 -1.5724 H 1 UNL1 0.1717 36 H 2.5249 -1.4914 3.4895 H 1 UNL1 0.3248 37 H -3.2068 -0.6269 1.4937 H 1 UNL1 0.1823 38 H -4.2972 0.3878 0.5391 H 1 UNL1 0.2044 39 H -6.3406 -2.3647 0.6932 H 1 UNL1 0.3545 @BOND 1 12 11 2 2 11 9 2 3 32 2 1 4 2 13 1 5 35 21 1 6 9 14 1 7 34 21 1 8 26 14 1 9 21 20 1 10 21 23 1 11 14 13 1 12 14 16 1 13 13 25 1 14 13 15 1 15 7 24 2 16 5 22 2 17 20 22 ar 18 20 18 ar 19 22 10 ar 20 31 18 1 21 18 8 ar 22 10 33 1 23 10 19 ar 24 24 23 1 25 24 6 1 26 8 19 ar 27 8 15 1 28 19 4 2 29 23 38 1 30 23 37 1 31 39 6 1 32 15 27 1 33 15 1 1 34 16 28 1 35 16 1 1 36 16 17 1 37 30 17 1 38 17 29 1 39 17 3 1 40 3 36 1