@MOLECULE n-{2-amino-5-[formyl(methyl)amino]-6-oxo-3,6-dihydro-4-pyrimidinyl}-2-deoxy-3-o-phosphono-beta-d-erythro-pentofuranosylamine 43 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.8851 0.3736 0.0857 P.3 1 UNL1 0.3728 2 O -0.4818 -1.6130 0.3633 O.3 1 UNL1 -0.5011 3 O -3.6089 -0.3212 0.7382 O.3 1 UNL1 -0.2411 4 O -0.7075 -2.1622 -2.3538 O.3 1 UNL1 -0.5243 5 O -4.4714 1.9088 0.0142 O.3 1 UNL1 -0.3258 6 O -4.8639 0.0005 -1.4709 O.3 1 UNL1 -0.4316 7 O -6.0521 0.0049 0.8572 O.2 1 UNL1 -0.2306 8 O 5.3661 0.8687 -0.3556 O.2 1 UNL1 -0.4257 9 O 2.4628 3.7429 -1.3068 O.2 1 UNL1 -0.5181 10 N 0.8712 0.1653 1.0570 N.pl3 1 UNL1 -0.5834 11 N 2.3525 -1.6588 0.6016 N.ar 1 UNL1 -0.5669 12 N 2.7265 1.9828 0.0823 N.am 1 UNL1 -0.4299 13 N 4.6312 -1.2573 -0.0624 N.ar 1 UNL1 -0.5932 14 N 3.8070 -3.4518 0.0720 N.pl3 1 UNL1 -0.6066 15 C -2.2645 -0.0060 0.3610 C.3 1 UNL1 0.0978 16 C -1.6696 -1.2531 -0.3448 C.3 1 UNL1 0.0413 17 C -1.4994 0.0671 1.7047 C.3 1 UNL1 -0.3748 18 C -0.2185 -0.7293 1.4374 C.3 1 UNL1 0.3147 19 C -1.2744 -0.9940 -1.8002 C.3 1 UNL1 -0.0408 20 C 2.0922 -0.2817 0.5848 C.ar 1 UNL1 0.4594 21 C 3.0705 0.6128 0.1779 C.ar 1 UNL1 -0.3008 22 C 4.4341 0.1498 -0.1012 C.ar 1 UNL1 0.6001 23 C 3.6526 -2.0702 0.2042 C.ar 1 UNL1 0.5646 24 C 3.1537 2.8251 1.2084 C.3 1 UNL1 -0.2320 25 C 2.6346 2.5488 -1.1922 C.2 1 UNL1 0.4750 26 H -2.1260 0.9216 -0.2375 H 1 UNL1 0.1510 27 H -2.3204 -2.1515 -0.2396 H 1 UNL1 0.1688 28 H -2.0960 -0.3980 2.5198 H 1 UNL1 0.1905 29 H -1.3258 1.1051 2.0313 H 1 UNL1 0.1752 30 H 0.1065 -1.3996 2.2705 H 1 UNL1 0.1511 31 H -2.1641 -0.8086 -2.4351 H 1 UNL1 0.1615 32 H -0.5608 -0.1574 -1.9054 H 1 UNL1 0.1276 33 H 0.6429 1.1363 0.8262 H 1 UNL1 0.3435 34 H 0.1027 -2.3957 -1.8543 H 1 UNL1 0.3158 35 H 1.5691 -2.3057 0.5676 H 1 UNL1 0.3413 36 H -4.9186 2.3240 -0.8135 H 1 UNL1 0.3249 37 H -5.4322 -0.8324 -1.6303 H 1 UNL1 0.3354 38 H 4.2568 2.9151 1.2416 H 1 UNL1 0.1569 39 H 2.8054 2.3893 2.1582 H 1 UNL1 0.1383 40 H 2.7249 3.8389 1.0935 H 1 UNL1 0.1664 41 H 2.6213 1.8491 -2.0396 H 1 UNL1 0.1356 42 H 3.3592 -4.0448 0.7474 H 1 UNL1 0.2945 43 H 4.7475 -3.7489 -0.1704 H 1 UNL1 0.3226 @BOND 1 31 19 1 2 4 34 1 3 4 19 1 4 41 25 1 5 32 19 1 6 19 16 1 7 37 6 1 8 6 1 1 9 9 25 2 10 25 12 am 11 36 5 1 12 8 22 2 13 16 27 1 14 16 15 1 15 16 2 1 16 26 15 1 17 43 14 1 18 22 13 ar 19 22 21 ar 20 13 23 ar 21 5 1 1 22 14 23 1 23 14 42 1 24 12 21 1 25 12 24 1 26 1 3 1 27 1 7 2 28 21 20 ar 29 23 11 ar 30 15 3 1 31 15 17 1 32 2 18 1 33 35 11 1 34 20 11 ar 35 20 10 1 36 33 10 1 37 10 18 1 38 40 24 1 39 24 38 1 40 24 39 1 41 18 17 1 42 18 30 1 43 17 29 1 44 17 28 1