@MOLECULE 1-{5-o-[hydroxy(1h-imidazol-1-yl)phosphoryl]-alpha-l-lyxofuranosyl}-2,4(1h,3h)-pyrimidinedione 40 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.3152 -0.2112 -0.9657 P.3 1 UNL1 0.3903 2 O 0.8608 -1.2411 -1.0192 O.3 1 UNL1 -0.3918 3 O 1.0372 -4.0586 0.2976 O.3 1 UNL1 -0.5414 4 O 3.0741 -2.7309 1.2441 O.3 1 UNL1 -0.5533 5 O -1.7986 -0.6705 -0.9148 O.3 1 UNL1 -0.2088 6 O 4.6252 -0.4269 0.0977 O.2 1 UNL1 -0.5545 7 O -4.1346 -1.3923 -0.2640 O.3 1 UNL1 -0.3974 8 O -3.6727 0.1809 -2.3110 O.2 1 UNL1 -0.2094 9 O 3.8211 4.0183 -0.2811 O.2 1 UNL1 -0.4609 10 N 2.4614 0.2382 -0.2121 N.ar 1 UNL1 -0.5016 11 N 4.2463 1.8206 -0.1148 N.ar 1 UNL1 -0.6141 12 N -3.4730 0.9454 0.2746 N.ar 1 UNL1 -0.2034 13 N -3.8870 1.8453 2.3018 N.ar 1 UNL1 -0.3967 14 C 0.7304 -2.7889 0.8111 C.3 1 UNL1 0.0843 15 C 1.9814 -1.8919 0.9979 C.3 1 UNL1 0.0295 16 C -0.0645 -2.0567 -0.2940 C.3 1 UNL1 0.0537 17 C 2.1101 -1.1876 -0.3781 C.3 1 UNL1 0.2366 18 C -1.1684 -1.1662 0.2926 C.3 1 UNL1 -0.0894 19 C 3.8482 0.4960 -0.0685 C.ar 1 UNL1 0.7071 20 C 1.5486 1.2519 -0.4554 C.ar 1 UNL1 0.1889 21 C 1.9482 2.5464 -0.4731 C.ar 1 UNL1 -0.4403 22 C 3.3369 2.9142 -0.2906 C.ar 1 UNL1 0.6176 23 C -2.8443 2.2148 0.3170 C.ar 1 UNL1 -0.0980 24 C -4.0960 0.7720 1.5359 C.ar 1 UNL1 0.1103 25 C -3.1163 2.7422 1.5751 C.ar 1 UNL1 -0.0962 26 H 0.1688 -2.9575 1.7504 H 1 UNL1 0.1491 27 H 1.8771 -1.1816 1.8434 H 1 UNL1 0.1531 28 H -0.4552 -2.7529 -1.0748 H 1 UNL1 0.1908 29 H 2.8518 -1.6874 -1.0577 H 1 UNL1 0.1784 30 H -1.8224 -1.7601 0.9658 H 1 UNL1 0.1514 31 H -0.7566 -0.3044 0.8576 H 1 UNL1 0.1393 32 H 1.9927 -4.2715 0.4454 H 1 UNL1 0.3529 33 H 3.9230 -2.2490 1.0557 H 1 UNL1 0.3663 34 H 0.5015 0.9412 -0.6246 H 1 UNL1 0.2040 35 H 5.2449 2.0228 -0.0060 H 1 UNL1 0.3499 36 H 1.2513 3.3692 -0.6264 H 1 UNL1 0.2078 37 H -4.7611 -1.8069 -0.9613 H 1 UNL1 0.3415 38 H -2.3127 2.6535 -0.5079 H 1 UNL1 0.1826 39 H -4.6708 -0.0957 1.8299 H 1 UNL1 0.1931 40 H -2.8289 3.6837 2.0002 H 1 UNL1 0.1788 @BOND 1 8 1 2 2 28 16 1 3 29 17 1 4 2 17 1 5 2 16 1 6 1 5 1 7 1 7 1 8 1 12 1 9 37 7 1 10 5 18 1 11 36 21 1 12 34 20 1 13 38 23 1 14 21 20 ar 15 21 22 ar 16 20 10 ar 17 17 10 1 18 17 15 1 19 16 18 1 20 16 14 1 21 22 9 2 22 22 11 ar 23 10 19 ar 24 11 19 ar 25 11 35 1 26 19 6 2 27 12 23 ar 28 12 24 ar 29 18 31 1 30 18 30 1 31 3 32 1 32 3 14 1 33 23 25 ar 34 14 15 1 35 14 26 1 36 15 4 1 37 15 27 1 38 33 4 1 39 24 39 1 40 24 13 ar 41 25 40 1 42 25 13 ar