@MOLECULE 6-oxo-9-(5-o-phosphonopentofuranosyl)-6,7-dihydro-3h-purin-9-ium 23 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.4241 -1.8547 0.1218 P.3 1 UNL1 0.4271 2 O4* -0.2763 0.9135 0.0114 O.2 2 UNL2 -0.1329 3 O2* 1.5213 3.9170 -0.3876 O.2 2 UNL2 -0.2148 4 O3* -1.4084 4.2803 -0.0400 O.2 2 UNL2 -0.3403 5 O5* -3.6570 1.1099 0.2819 O.2 2 UNL2 -0.1064 6 O 5.0108 -2.7671 0.4022 O.2 2 UNL2 -0.2830 7 O -3.3917 -1.5727 1.1359 O.3 1 UNL1 -0.1421 8 O -3.5643 -1.6625 -1.0617 O.3 1 UNL1 -0.1152 9 O -5.8013 -2.1856 0.2487 O.2 1 UNL1 -0.1720 10 N 2.0505 0.9890 -0.2113 N.2 2 UNL2 -0.4292 11 N 4.5707 0.0096 0.5948 N.1 2 UNL2 -0.5001 12 N 1.3919 -1.2350 -0.7380 N.2 2 UNL2 -0.4250 13 N 2.9192 -3.1176 -0.5083 N.am 2 UNL2 -0.4612 14 C1* 0.9122 1.5711 -0.1492 C.2 2 UNL2 0.3092 15 C2* 0.7021 3.0775 -0.2165 C.2 2 UNL2 0.3020 16 C3* -0.8211 3.2386 -0.0509 C.2 2 UNL2 0.3913 17 C4* -1.3087 1.8828 0.0581 C.2 2 UNL2 -0.3633 18 C5* -2.5605 1.4358 0.1720 C.1 2 UNL2 0.5542 19 C 2.2961 -0.3752 -0.2580 C.2 2 UNL2 0.3490 20 C 5.3975 0.7988 0.9643 C.1 2 UNL2 0.4543 21 C 3.6324 -0.8261 0.1474 C.3 2 UNL2 0.0264 22 C 3.9671 -2.3006 0.0451 C.2 2 UNL2 0.5000 23 C 1.8507 -2.5161 -0.8073 C.2 2 UNL2 0.3719 @BOND 1 8 1 1 2 23 12 1 3 23 13 2 4 12 19 2 5 13 22 1 6 3 15 2 7 19 10 1 8 19 21 1 9 15 14 1 10 15 16 1 11 10 14 2 12 14 2 1 13 16 4 2 14 16 17 1 15 2 17 1 16 22 21 1 17 22 6 2 18 17 18 2 19 1 9 2 20 1 7 1 21 21 11 1 22 18 5 2 23 11 20 3