@MOLECULE n-(2,6-diamino-4-oxo-1,4-dihydro-5-pyrimidinyl)-n-[(6as,9r,9ar)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]formamide 55 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.2490 0.3244 1.9511 O.3 1 UNL1 -0.4848 2 O 0.6919 -1.3501 2.1428 O.3 1 UNL1 -0.4072 3 O 0.8902 3.1292 1.5975 O.3 1 UNL1 -0.5555 4 O -2.6524 1.5015 0.7482 O.2 1 UNL1 -0.3971 5 O -3.0452 -3.0705 -0.3815 O.3 1 UNL1 -0.3118 6 O -4.0430 3.0521 0.1258 O.2 1 UNL1 -0.3678 7 O -6.5142 1.8128 -1.4922 O.2 1 UNL1 -0.4275 8 O 0.1623 0.1451 -1.0359 O.2 1 UNL1 -0.5406 9 O 3.9586 2.0503 -2.0803 O.2 1 UNL1 -0.4112 10 N 2.3013 0.5107 -0.3664 N.am 1 UNL1 -0.4595 11 N 5.6074 -1.1918 -0.3042 N.ar 1 UNL1 -0.5701 12 N 5.7757 0.7352 -1.7301 N.ar 1 UNL1 -0.5939 13 N 3.5817 -1.8329 0.7297 N.pl3 1 UNL1 -0.5999 14 N 7.6890 -0.5452 -1.2369 N.pl3 1 UNL1 -0.6161 15 C -0.0522 0.9664 2.0823 C.3 1 UNL1 -0.1652 16 C 0.6505 1.8599 1.0332 C.3 1 UNL1 0.1128 17 C 1.0605 0.0036 2.5849 C.3 1 UNL1 0.3210 18 C 2.0654 1.2476 0.8570 C.3 1 UNL1 0.2905 19 C -1.0103 0.0273 1.4490 C.ar 1 UNL1 -0.3299 20 C -0.4821 -1.2742 1.4752 C.ar 1 UNL1 0.4177 21 C -2.2042 0.2514 0.7776 C.ar 1 UNL1 0.4580 22 C -2.8935 -0.8382 0.1685 C.ar 1 UNL1 -0.3873 23 C -1.1040 -2.3808 0.9002 C.ar 1 UNL1 -0.4731 24 C -4.0966 -0.5124 -0.4959 C.ar 1 UNL1 0.3039 25 C -2.3061 -2.1300 0.2416 C.ar 1 UNL1 0.4137 26 C -5.0126 -1.4544 -1.2153 C.3 1 UNL1 -0.2993 27 C -4.5586 0.7831 -0.5369 C.ar 1 UNL1 -0.4639 28 C 3.6574 0.1940 -0.6288 C.ar 1 UNL1 -0.3075 29 C -6.1615 -0.5669 -1.7327 C.3 1 UNL1 -0.3808 30 C -3.8635 1.8758 0.0559 C.ar 1 UNL1 0.6411 31 C -5.8279 0.8563 -1.2718 C.2 1 UNL1 0.5254 32 C 1.3471 0.0258 -1.2570 C.2 1 UNL1 0.5079 33 C 4.2601 -0.9121 -0.0420 C.ar 1 UNL1 0.4649 34 C 4.4105 1.0863 -1.5197 C.ar 1 UNL1 0.6078 35 C -2.5253 -4.3963 -0.4264 C.3 1 UNL1 -0.1980 36 C 6.3173 -0.2874 -1.1409 C.ar 1 UNL1 0.5714 37 H 0.1276 3.7227 1.4229 H 1 UNL1 0.3371 38 H 6.0875 -1.9296 0.1902 H 1 UNL1 0.3238 39 H 4.0806 -2.4642 1.3236 H 1 UNL1 0.2961 40 H 2.6784 -1.5298 1.0984 H 1 UNL1 0.3510 41 H 7.9875 -1.4960 -1.3493 H 1 UNL1 0.2926 42 H 8.2035 0.1114 -1.8159 H 1 UNL1 0.3227 43 H -0.4992 1.5808 2.8913 H 1 UNL1 0.1889 44 H 0.0723 1.9675 0.0899 H 1 UNL1 0.1866 45 H 1.2696 -0.1054 3.6584 H 1 UNL1 0.1548 46 H 2.8817 2.0016 1.0304 H 1 UNL1 0.1869 47 H -0.6522 -3.3598 0.9613 H 1 UNL1 0.1891 48 H -5.3728 -2.2587 -0.5449 H 1 UNL1 0.1744 49 H -4.4828 -1.9745 -2.0382 H 1 UNL1 0.1770 50 H -7.1426 -0.8746 -1.3351 H 1 UNL1 0.1704 51 H -6.2537 -0.5978 -2.8312 H 1 UNL1 0.1722 52 H 1.7472 -0.4585 -2.1605 H 1 UNL1 0.1486 53 H -3.2923 -4.9252 -1.0081 H 1 UNL1 0.1534 54 H -2.4476 -4.8159 0.5816 H 1 UNL1 0.1417 55 H -1.5620 -4.4188 -0.9471 H 1 UNL1 0.1446 @BOND 1 51 29 1 2 52 32 1 3 9 34 2 4 49 26 1 5 42 14 1 6 29 50 1 7 29 31 1 8 29 26 1 9 12 34 ar 10 12 36 ar 11 34 28 ar 12 7 31 2 13 41 14 1 14 31 27 1 15 32 8 2 16 32 10 am 17 14 36 1 18 26 48 1 19 26 24 1 20 36 11 ar 21 53 35 1 22 55 35 1 23 28 10 1 24 28 33 ar 25 27 24 ar 26 27 30 ar 27 24 22 ar 28 35 5 1 29 35 54 1 30 5 25 1 31 10 18 1 32 11 33 ar 33 11 38 1 34 33 13 1 35 30 6 2 36 30 4 ar 37 44 16 1 38 22 25 ar 39 22 21 ar 40 25 23 ar 41 13 40 1 42 13 39 1 43 4 21 ar 44 21 19 ar 45 18 46 1 46 18 16 1 47 18 1 1 48 23 47 1 49 23 20 ar 50 16 3 1 51 16 15 1 52 37 3 1 53 19 20 ar 54 19 15 1 55 20 2 1 56 1 17 1 57 15 17 1 58 15 43 1 59 2 17 1 60 17 45 1