@MOLECULE 1-{2,5-dideoxy-5-[(iodoacetyl)amino]pentofuranosyl}-5-methyl-2,4(1h,3h)-pyrimidinedione 37 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I 2.6899 1.3289 0.1118 I 1 UNL1 0.0036 2 O -0.6137 -1.4904 0.3113 O.3 1 UNL1 -0.4026 3 O -1.4217 -4.4683 -0.4672 O.3 1 UNL1 -0.5409 4 O -4.4912 -0.5163 1.2005 O.2 1 UNL1 -0.5244 5 O -3.8674 3.6486 -0.4750 O.2 1 UNL1 -0.4756 6 O 2.4509 -2.3685 1.2736 O.2 1 UNL1 -0.4897 7 N -2.4262 -0.0226 0.3563 N.ar 1 UNL1 -0.5103 8 N 1.9244 -2.0251 -0.9049 N.am 1 UNL1 -0.5987 9 N -4.1844 1.5902 0.3634 N.ar 1 UNL1 -0.6244 10 C -0.5329 -2.2388 -0.9063 C.3 1 UNL1 0.0052 11 C -1.7598 -3.1830 -0.9061 C.3 1 UNL1 0.1284 12 C -2.7529 -2.4962 0.0449 C.3 1 UNL1 -0.3951 13 C -1.9468 -1.3839 0.7374 C.3 1 UNL1 0.3239 14 C 0.8131 -2.9752 -0.8512 C.3 1 UNL1 -0.0828 15 C -1.5632 0.9139 -0.1886 C.ar 1 UNL1 0.1236 16 C -3.7593 0.3024 0.6821 C.ar 1 UNL1 0.7014 17 C -1.9823 2.1674 -0.4984 C.ar 1 UNL1 -0.2423 18 C -3.3558 2.5795 -0.2406 C.ar 1 UNL1 0.6050 19 C 2.6123 -1.7260 0.2598 C.2 1 UNL1 0.5815 20 C -1.0736 3.1845 -1.0824 C.3 1 UNL1 -0.4039 21 C 3.6299 -0.6128 0.1628 C.3 1 UNL1 -0.4056 22 H -0.5798 -1.5102 -1.7416 H 1 UNL1 0.1357 23 H -2.1674 -3.3743 -1.9206 H 1 UNL1 0.1573 24 H -3.6398 -2.1109 -0.4920 H 1 UNL1 0.1902 25 H -3.1728 -3.2092 0.7800 H 1 UNL1 0.1889 26 H -1.9061 -1.4487 1.8534 H 1 UNL1 0.1691 27 H 0.8906 -3.6945 -1.6993 H 1 UNL1 0.1605 28 H 0.8878 -3.5823 0.0879 H 1 UNL1 0.1904 29 H -1.0941 -4.4595 0.4592 H 1 UNL1 0.3270 30 H -0.5268 0.5868 -0.3517 H 1 UNL1 0.1899 31 H 1.9980 -1.4555 -1.7290 H 1 UNL1 0.3072 32 H -5.1523 1.8358 0.5877 H 1 UNL1 0.3466 33 H -1.6261 3.9181 -1.6957 H 1 UNL1 0.1741 34 H -0.3004 2.7453 -1.7254 H 1 UNL1 0.1470 35 H -0.5636 3.7619 -0.2937 H 1 UNL1 0.1634 36 H 4.2726 -0.7020 -0.7267 H 1 UNL1 0.1775 37 H 4.2849 -0.6333 1.0570 H 1 UNL1 0.1986 @BOND 1 23 11 1 2 22 10 1 3 31 8 1 4 34 20 1 5 27 14 1 6 33 20 1 7 20 17 1 8 20 35 1 9 10 11 1 10 10 14 1 11 10 2 1 12 11 3 1 13 11 12 1 14 8 14 1 15 8 19 am 16 14 28 1 17 36 21 1 18 17 18 ar 19 17 15 ar 20 24 12 1 21 5 18 2 22 3 29 1 23 30 15 1 24 18 9 ar 25 15 7 ar 26 12 13 1 27 12 25 1 28 1 21 1 29 21 19 1 30 21 37 1 31 19 6 2 32 2 13 1 33 7 16 ar 34 7 13 1 35 9 32 1 36 9 16 ar 37 16 4 2 38 13 26 1