@MOLECULE 3-carboxy-1-(5-o-phosphonopentofuranosyl)pyridinium 22 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.0404 -1.9913 -0.6954 O.2 1 UNL1 -0.3647 2 C -0.2924 -1.2250 0.1721 C.2 1 UNL1 0.4656 3 C 0.7207 -0.8627 1.2660 C.2 1 UNL1 0.2864 4 O 0.6719 -1.2564 2.3902 O.2 1 UNL1 -0.2874 5 C 1.8167 0.1003 0.8036 C.2 1 UNL1 0.4960 6 O 1.7822 1.2849 0.9441 O.2 1 UNL1 -0.3380 7 C -1.5257 -0.5807 0.3111 C.1 1 UNL1 -0.3998 8 C -2.6105 -0.0330 0.4118 C.1 1 UNL1 0.3055 9 O -3.6841 0.6385 0.6410 O.3 1 UNL1 -0.1775 10 P -5.0411 0.4078 -0.2150 P.3 1 UNL1 0.4996 11 O -5.9466 1.3627 0.3329 O.2 1 UNL1 -0.1418 12 O -4.7223 -0.0140 -1.6816 O.3 1 UNL1 -0.0434 13 O -5.2132 -1.0932 -0.6012 O.3 1 UNL1 -0.0460 14 N 2.9178 -0.5384 0.1295 N.am 1 UNL1 -0.3262 15 C 3.0544 -1.8959 0.1507 C.2 1 UNL1 0.0222 16 C 4.0258 -2.4786 -0.4645 C.2 1 UNL1 -0.0718 17 C 4.9417 -1.7976 -1.1600 C.2 1 UNL1 0.1461 18 C 4.8132 -0.5260 -1.1835 C.2 1 UNL1 -0.2236 19 C 3.8599 0.2816 -0.5928 C.3 1 UNL1 0.2164 20 C 3.6859 2.6894 -0.2943 C.1 1 UNL1 0.7045 21 O 4.5055 2.6433 0.5412 O.2 1 UNL1 -0.3644 22 O 2.8875 2.8578 -1.1331 O.2 1 UNL1 -0.3579 @BOND 1 12 13 1 2 12 10 1 3 18 17 2 4 18 19 1 5 17 16 1 6 22 20 2 7 1 2 2 8 13 10 1 9 19 14 1 10 16 15 2 11 20 21 2 12 10 11 2 13 10 9 1 14 14 15 1 15 14 5 am 16 2 7 1 17 2 3 1 18 7 8 3 19 8 9 1 20 5 6 2 21 5 3 1 22 3 4 2