@MOLECULE [(2S,3S,5R)-3-[(2S)-3-[[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methylamino]-2-methyl-3-oxo-propyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate 80 83 0 0 0 SMALL GASTEIGER @ATOM 1 P 1.0398 3.4089 -2.2573 P.3 1 UNL1111111 0.3584 2 O 0.9675 4.7047 -2.9008 O.2 1 UNL1111111 -0.2049 3 O 1.2264 2.0956 -3.1565 O.3 1 UNL1111111 -0.4425 4 C 5.5798 0.6467 0.6008 C.ar 1 UNL1111111 0.6003 5 N 5.3941 0.1791 -0.7306 N.ar 1 UNL1111111 -0.6258 6 C 4.3098 -0.5886 -1.1510 C.ar 1 UNL1111111 0.6923 7 N 3.3538 -0.9215 -0.1601 N.ar 1 UNL1111111 -0.5003 8 C 3.4873 -0.4967 1.1535 C.ar 1 UNL1111111 0.1051 9 C 4.5425 0.2552 1.5503 C.ar 1 UNL1111111 -0.2295 10 O -0.3017 3.1970 -1.4299 O.3 1 UNL1111111 -0.2377 11 C -0.6032 1.9915 -0.7018 C.3 1 UNL1111111 -0.0649 12 C -1.7516 2.4637 0.2009 C.3 1 UNL1111111 0.0720 13 O -2.9682 2.4021 -0.5602 O.3 1 UNL1111111 -0.4032 14 C -3.9993 1.8027 0.1835 C.3 1 UNL1111111 0.3204 15 N -4.3118 0.4931 -0.4514 N.ar 1 UNL1111111 -0.5000 16 C -3.3859 -0.1782 -1.2271 C.ar 1 UNL1111111 0.1199 17 C -5.5887 -0.0480 -0.1875 C.ar 1 UNL1111111 0.7008 18 O -6.3939 0.5543 0.4923 O.2 1 UNL1111111 -0.5202 19 N -5.8583 -1.3002 -0.7349 N.ar 1 UNL1111111 -0.6239 20 C -4.9352 -2.0473 -1.5228 C.ar 1 UNL1111111 0.6091 21 O -5.3157 -3.1184 -1.9318 O.2 1 UNL1111111 -0.4770 22 C -3.6435 -1.4083 -1.7403 C.ar 1 UNL1111111 -0.2514 23 C -2.6472 -2.1666 -2.5360 C.3 1 UNL1111111 -0.4062 24 C -3.4838 1.5963 1.6215 C.3 1 UNL1111111 -0.3491 25 C -1.9596 1.5578 1.4337 C.3 1 UNL1111111 -0.1636 26 C -1.1666 2.0508 2.6397 C.3 1 UNL1111111 -0.2925 27 C -1.2888 1.1003 3.8366 C.3 1 UNL1111111 -0.1715 28 C -0.3901 1.5451 4.9910 C.3 1 UNL1111111 -0.4442 29 C -0.9593 -0.3507 3.5099 C.2 1 UNL1111111 0.5722 30 O -1.5873 -1.2732 3.9890 O.2 1 UNL1111111 -0.5314 31 N 0.1250 -0.6104 2.6869 N.am 1 UNL1111111 -0.6059 32 C 0.4392 -1.9912 2.3208 C.3 1 UNL1111111 -0.1189 33 C 0.3356 -2.1914 0.7991 C.3 1 UNL1111111 0.0427 34 O 1.0696 -1.1458 0.1576 O.3 1 UNL1111111 -0.4494 35 C 2.1482 -1.6405 -0.6057 C.3 1 UNL1111111 0.2940 36 O 4.1762 -0.9597 -2.2954 O.2 1 UNL1111111 -0.4849 37 O 6.5613 1.3162 0.8122 O.2 1 UNL1111111 -0.4601 38 C 4.6992 0.7419 2.9416 C.3 1 UNL1111111 -0.4097 39 C 2.2565 -3.1702 -0.3524 C.3 1 UNL1111111 -0.0392 40 O 2.3018 -3.7365 -1.6405 O.3 1 UNL1111111 -0.3599 41 C 2.8039 -5.0657 -1.6542 C.3 1 UNL1111111 -0.2006 42 C 0.9325 -3.5447 0.3622 C.3 1 UNL1111111 0.0585 43 O 0.0217 -4.1944 -0.4775 O.3 1 UNL1111111 -0.5224 44 O 2.2313 3.1978 -1.2212 O.3 1 UNL1111111 -0.3205 45 H 0.7309 2.1916 -4.0387 H 1 UNL1111111 0.3343 46 H 6.0975 0.4246 -1.4345 H 1 UNL1111111 0.3499 47 H 2.6924 -0.8028 1.8456 H 1 UNL1111111 0.1828 48 H -0.9391 1.2045 -1.4107 H 1 UNL1111111 0.1401 49 H 0.2349 1.5970 -0.0954 H 1 UNL1111111 0.1339 50 H -1.6398 3.5419 0.4624 H 1 UNL1111111 0.1646 51 H -4.8910 2.4701 0.0843 H 1 UNL1111111 0.1733 52 H -2.4334 0.3440 -1.4116 H 1 UNL1111111 0.1888 53 H -6.7817 -1.7027 -0.5550 H 1 UNL1111111 0.3464 54 H -1.8865 -1.5239 -2.9960 H 1 UNL1111111 0.1488 55 H -3.1308 -2.7356 -3.3498 H 1 UNL1111111 0.1737 56 H -2.1265 -2.9120 -1.9113 H 1 UNL1111111 0.1613 57 H -3.8815 0.6783 2.0883 H 1 UNL1111111 0.1798 58 H -3.8047 2.4258 2.2746 H 1 UNL1111111 0.1660 59 H -1.6574 0.5118 1.1831 H 1 UNL1111111 0.1531 60 H -1.5143 3.0609 2.9435 H 1 UNL1111111 0.1603 61 H -0.1027 2.1923 2.3616 H 1 UNL1111111 0.1490 62 H -2.3581 1.1068 4.1872 H 1 UNL1111111 0.1793 63 H 0.6711 1.5373 4.7180 H 1 UNL1111111 0.1500 64 H -0.6401 2.5596 5.3258 H 1 UNL1111111 0.1558 65 H -0.5072 0.8822 5.8608 H 1 UNL1111111 0.1617 66 H 0.5778 0.1041 2.1418 H 1 UNL1111111 0.3181 67 H 1.4578 -2.2381 2.6959 H 1 UNL1111111 0.1382 68 H -0.2624 -2.7000 2.8383 H 1 UNL1111111 0.1955 69 H -0.7079 -2.0584 0.4293 H 1 UNL1111111 0.1787 70 H 1.9299 -1.3873 -1.6808 H 1 UNL1111111 0.1993 71 H 4.0044 0.2715 3.6480 H 1 UNL1111111 0.1481 72 H 4.5430 1.8337 2.9974 H 1 UNL1111111 0.1695 73 H 5.7208 0.5595 3.3183 H 1 UNL1111111 0.1738 74 H 3.1509 -3.4410 0.2406 H 1 UNL1111111 0.1520 75 H 2.7478 -5.3313 -2.7194 H 1 UNL1111111 0.1577 76 H 2.1693 -5.7297 -1.0566 H 1 UNL1111111 0.1383 77 H 3.8458 -5.0912 -1.3186 H 1 UNL1111111 0.1326 78 H 1.0693 -4.2587 1.2016 H 1 UNL1111111 0.1556 79 H 0.2480 -4.0413 -1.4295 H 1 UNL1111111 0.3386 80 H 2.7373 2.3335 -1.4463 H 1 UNL1111111 0.3167 @BOND 1 1 2 2 2 1 3 1 3 1 10 1 4 1 44 1 5 3 45 1 6 4 5 ar 7 4 9 ar 8 4 37 2 9 5 6 ar 10 5 46 1 11 6 7 ar 12 6 36 2 13 7 8 ar 14 7 35 1 15 8 9 ar 16 8 47 1 17 9 38 1 18 10 11 1 19 11 12 1 20 11 48 1 21 11 49 1 22 12 13 1 23 12 25 1 24 12 50 1 25 13 14 1 26 14 15 1 27 14 24 1 28 14 51 1 29 15 16 ar 30 15 17 ar 31 16 22 ar 32 16 52 1 33 17 18 2 34 17 19 ar 35 19 20 ar 36 19 53 1 37 20 21 2 38 20 22 ar 39 22 23 1 40 23 54 1 41 23 55 1 42 23 56 1 43 24 25 1 44 24 57 1 45 24 58 1 46 25 26 1 47 25 59 1 48 26 27 1 49 26 60 1 50 26 61 1 51 27 28 1 52 27 29 1 53 27 62 1 54 28 63 1 55 28 64 1 56 28 65 1 57 29 30 2 58 29 31 am 59 31 32 1 60 31 66 1 61 32 33 1 62 32 67 1 63 32 68 1 64 33 34 1 65 33 42 1 66 33 69 1 67 34 35 1 68 35 39 1 69 35 70 1 70 38 71 1 71 38 72 1 72 38 73 1 73 39 40 1 74 39 42 1 75 39 74 1 76 40 41 1 77 41 75 1 78 41 76 1 79 41 77 1 80 42 43 1 81 42 78 1 82 43 79 1 83 44 80 1