@MOLECULE 4-ammonio-1-(2-deoxy-2-fluoropentofuranosyl)-5-iodo-2-oxo-1,2-dihydropyrimidin-1-ium 29 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I 3.4756 -0.4165 0.3551 I 1 UNL1 0.0432 2 F -2.6558 1.9127 1.3799 F 1 UNL1 -0.1686 3 O -2.4690 -1.4084 0.4068 O.3 1 UNL1 -0.4266 4 O -5.3704 0.0798 1.1837 O.3 1 UNL1 -0.5553 5 O -3.3564 -2.4539 -2.0175 O.3 1 UNL1 -0.5310 6 O -2.2061 1.4049 -1.0090 O.2 1 UNL1 -0.4767 7 N -0.7979 0.2167 0.3510 N.ar 1 UNL1 -0.4915 8 N 0.0263 1.5459 -1.4948 N.ar 1 UNL1 -0.6209 9 N 2.2418 1.6957 -2.0070 N.pl3 1 UNL1 -0.5662 10 C -4.1723 0.2896 0.4704 C.3 1 UNL1 0.0841 11 C -3.0508 0.6315 1.4863 C.3 1 UNL1 -0.0107 12 C -1.9002 -0.3582 1.1436 C.3 1 UNL1 0.2565 13 C -3.7760 -1.0886 -0.0886 C.3 1 UNL1 0.0457 14 C -3.7144 -1.1483 -1.6168 C.3 1 UNL1 -0.0394 15 C 0.4739 -0.2073 0.6167 C.ar 1 UNL1 0.1801 16 C -1.0590 1.1139 -0.7814 C.ar 1 UNL1 0.7314 17 C 1.5413 0.2449 -0.1206 C.ar 1 UNL1 -0.3997 18 C 1.2792 1.1598 -1.2036 C.ar 1 UNL1 0.5049 19 H -5.8424 0.9244 1.3309 H 1 UNL1 0.3274 20 H -2.4861 -2.6837 -1.6248 H 1 UNL1 0.3199 21 H 1.9669 2.3254 -2.7447 H 1 UNL1 0.3312 22 H 3.2093 1.4854 -1.9168 H 1 UNL1 0.3150 23 H -4.3220 1.0662 -0.3100 H 1 UNL1 0.1727 24 H -3.4128 0.4542 2.5363 H 1 UNL1 0.1650 25 H -1.4852 -0.8559 2.0581 H 1 UNL1 0.1495 26 H -4.4193 -1.9039 0.3237 H 1 UNL1 0.1763 27 H -4.7109 -0.9964 -2.0728 H 1 UNL1 0.1527 28 H -2.9943 -0.4265 -2.0462 H 1 UNL1 0.1525 29 H 0.6009 -0.9190 1.4506 H 1 UNL1 0.1784 @BOND 1 21 9 1 2 27 14 1 3 28 14 1 4 5 20 1 5 5 14 1 6 9 22 1 7 9 18 1 8 14 13 1 9 8 18 ar 10 8 16 ar 11 18 17 ar 12 6 16 2 13 16 7 ar 14 23 10 1 15 17 1 1 16 17 15 ar 17 13 26 1 18 13 3 1 19 13 10 1 20 7 15 ar 21 7 12 1 22 3 12 1 23 10 4 1 24 10 11 1 25 15 29 1 26 12 11 1 27 12 25 1 28 4 19 1 29 2 11 1 30 11 24 1