@MOLECULE 4-hydroxy-3-nitro-1-(d-ribofuranosyl)-2(1h)-pyridinone 32 33 0 0 0 SMALL USER_CHARGES @ATOM 1 O4* -2.0653 -0.4777 0.9818 O.3 1 UNL111 -0.3995 2 O2* -1.5475 2.6164 -0.5534 O.3 1 UNL111 -0.5468 3 O3* -3.9461 1.9149 0.2108 O.3 1 UNL111 -0.5341 4 O5* -3.9270 -2.6643 0.2578 O.3 1 UNL111 -0.5225 5 O 1.1178 1.8099 0.2820 O.2 1 UNL111 -0.5081 6 O 3.7100 -2.0263 -0.5342 O.3 1 UNL111 -0.4109 7 O 4.3988 0.4218 1.1503 O.2 1 UNL111 -0.3857 8 O 4.0854 1.4290 -0.7288 O.2 1 UNL111 -0.3698 9 N 0.1090 -0.2074 0.1881 N.ar 1 UNL111 -0.4536 10 N 3.7622 0.6431 0.1381 N.pl3 1 UNL111 0.6919 11 C2* -1.7452 1.2359 -0.6701 C.3 1 UNL111 0.0338 12 C3* -3.2610 0.9485 -0.5404 C.3 1 UNL111 0.0794 13 C1* -1.1425 0.4905 0.5546 C.3 1 UNL111 0.2205 14 C4* -3.3062 -0.3632 0.2759 C.3 1 UNL111 0.0299 15 C5* -3.4822 -1.6205 -0.5822 C.3 1 UNL111 -0.0487 16 C 1.2950 0.6190 0.1519 C.ar 1 UNL111 0.6302 17 C 0.1363 -1.5521 -0.0201 C.ar 1 UNL111 0.2093 18 C 2.5241 -0.0964 -0.0273 C.ar 1 UNL111 -0.4066 19 C 1.3177 -2.1981 -0.3147 C.ar 1 UNL111 -0.4798 20 C 2.5226 -1.4553 -0.2923 C.ar 1 UNL111 0.4605 21 H2* -1.3287 0.8968 -1.6407 H 1 UNL111 0.1484 22 H3* -3.7869 0.8983 -1.5141 H 1 UNL111 0.1490 23 H1* -0.9502 1.1648 1.4328 H 1 UNL111 0.1895 24 H4* -4.0659 -0.3159 1.0934 H 1 UNL111 0.1885 25 H5*1 -2.5178 -1.9926 -0.9765 H 1 UNL111 0.1424 26 H5*2 -4.1797 -1.4610 -1.4204 H 1 UNL111 0.1258 27 H2* -0.5830 2.7978 -0.3786 H 1 UNL111 0.3693 28 H3* -3.3682 2.7020 0.3731 H 1 UNL111 0.3528 29 H -0.8167 -2.1076 0.0641 H 1 UNL111 0.1973 30 H 1.3271 -3.2623 -0.5198 H 1 UNL111 0.1896 31 H5* -4.8907 -2.7946 0.1761 H 1 UNL111 0.3144 32 H 3.6438 -3.0078 -0.6964 H 1 UNL111 0.3438 @BOND 1 21 11 1 2 22 12 1 3 26 15 1 4 25 15 1 5 8 10 2 6 32 6 1 7 11 2 1 8 11 12 1 9 11 13 1 10 15 4 1 11 15 14 1 12 2 27 1 13 12 3 1 14 12 14 1 15 6 20 1 16 30 19 1 17 19 20 ar 18 19 17 ar 19 20 18 ar 20 18 10 1 21 18 16 ar 22 17 29 1 23 17 9 ar 24 10 7 2 25 16 9 ar 26 16 5 2 27 31 4 1 28 9 13 1 29 3 28 1 30 14 1 1 31 14 24 1 32 13 1 1 33 13 23 1