@MOLECULE [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-1h-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate 53 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -0.7180 -2.7671 -0.4247 P.3 1 UNL1 0.3249 2 P -3.4408 -1.3376 -0.5941 P.3 1 UNL1 0.3164 3 O -2.0116 0.7628 2.1205 O.3 1 UNL1 -0.0408 4 O -0.6774 3.6751 0.6959 O.2 1 UNL1 -0.1624 5 O 1.4022 1.6317 1.7333 O.2 1 UNL1 -0.2679 6 O -0.3440 -2.0217 1.3883 O.3 1 UNL1 -0.0419 7 O -2.1928 -2.2742 -0.3702 O.3 1 UNL1 -0.2048 8 O -0.2393 0.9442 -0.5542 O.2 1 UNL1 -0.7292 9 O 1.5936 -0.1225 -3.3064 O.2 1 UNL1 -0.2642 10 O -2.6471 0.0808 -1.3100 O.3 1 UNL1 -0.2131 11 O -1.0895 -0.3034 -4.1445 O.2 1 UNL1 -0.2638 12 O 0.1390 -1.9268 -1.3063 O.2 1 UNL1 -0.4025 13 O 0.3189 -4.0831 0.1885 O.3 1 UNL1 -0.0067 14 O -4.3149 -1.7870 -1.6504 O.2 1 UNL1 -0.1530 15 O -3.7543 -0.6528 0.6660 O.3 1 UNL1 -0.3995 16 O 7.8455 1.4933 0.8601 O.2 1 UNL1 -0.4064 17 O 4.9647 4.5100 -1.0116 O.2 1 UNL1 -0.4227 18 N -3.3930 2.1636 0.9839 N.ar 1 UNL1 -0.5024 19 N -4.9758 2.4782 -0.6913 N.ar 1 UNL1 -0.5076 20 N 3.2317 0.2798 -0.2379 N.ar 1 UNL1 0.0446 21 N -4.8294 0.6617 2.3707 N.ar 1 UNL1 -0.2831 22 N -6.9521 0.0037 1.2974 N.ar 1 UNL1 -0.3109 23 N 4.1683 2.3995 -0.6342 N.2 1 UNL1 -0.4627 24 N 5.8795 -0.4862 0.7711 N.ar 1 UNL1 -0.2256 25 N -7.5624 0.7448 -0.8643 N.pl3 1 UNL1 -0.0109 26 N 6.4662 3.0464 -0.0704 N.am 1 UNL1 -0.7096 27 C -0.7507 2.5917 1.1342 C.2 1 UNL1 0.3793 28 C 0.2216 1.5159 1.6609 C.2 1 UNL1 0.4706 29 C -2.1574 1.8519 1.3700 C.3 1 UNL1 0.3780 30 C -0.6438 0.3838 1.9780 C.3 1 UNL1 -0.3211 31 C -0.4651 -0.9026 1.6885 C.3 1 UNL1 0.5822 32 C -4.5304 1.3521 1.3111 C.ar 1 UNL1 0.2424 33 C -3.6903 2.9426 -0.2924 C.ar 1 UNL1 0.6884 34 C -5.4724 1.5829 0.0993 C.ar 1 UNL1 0.2348 35 C 0.8271 0.6056 -1.1397 C.2 1 UNL1 0.4083 36 C 0.6841 0.1409 -2.5792 C.2 1 UNL1 0.3425 37 C 2.0637 0.5470 -0.6346 C.3 1 UNL1 -0.1363 38 C -0.7611 -0.0061 -3.0287 C.2 1 UNL1 0.2713 39 C -6.7227 0.7952 0.0825 C.ar 1 UNL1 0.1641 40 C 3.5047 -1.0408 0.2181 C.ar 1 UNL1 -0.0534 41 C 4.3716 1.2296 -0.2013 C.ar 1 UNL1 0.2406 42 C -1.7757 0.4022 -2.0423 C.3 1 UNL1 0.4035 43 C 4.8571 -1.4276 0.7018 C.ar 1 UNL1 0.0385 44 C 5.6451 0.7068 0.3578 C.ar 1 UNL1 -0.0237 45 C -6.0594 0.0440 2.1747 C.ar 1 UNL1 0.3680 46 C 2.6254 -2.0408 0.2240 C.ar 1 UNL1 0.0216 47 C 2.6736 -3.4046 0.5654 C.ar 1 UNL1 -0.1917 48 C 4.9255 -2.7310 1.0268 C.ar 1 UNL1 0.0938 49 C 4.0151 -3.8121 1.0037 C.ar 1 UNL1 -0.4693 50 C 6.7883 1.8231 0.4027 C.2 1 UNL1 0.6318 51 C 5.2867 3.4362 -0.5841 C.1 1 UNL1 0.7123 52 C 1.4981 -4.0165 0.3877 C.3 1 UNL1 0.3274 53 C 4.3980 -5.0538 1.3252 C.3 1 UNL1 0.5020 @BOND 1 11 38 2 2 9 36 2 3 38 36 1 4 38 42 1 5 36 35 1 6 42 10 1 7 14 2 2 8 10 2 1 9 12 1 2 10 35 37 1 11 35 8 2 12 17 51 2 13 25 39 1 14 19 33 ar 15 19 34 ar 16 37 20 1 17 23 51 2 18 23 41 1 19 2 7 1 20 2 15 1 21 51 26 am 22 1 7 1 23 1 13 1 24 1 6 1 25 33 18 ar 26 20 41 ar 27 20 40 ar 28 41 44 ar 29 26 50 am 30 39 34 ar 31 39 22 ar 32 34 32 ar 33 13 52 1 34 40 46 ar 35 40 43 ar 36 46 47 ar 37 44 50 1 38 44 24 ar 39 52 47 1 40 50 16 2 41 47 49 ar 42 4 27 2 43 43 24 ar 44 43 48 ar 45 18 32 ar 46 18 29 1 47 49 48 ar 48 49 53 1 49 27 29 1 50 27 28 1 51 22 45 ar 52 32 21 ar 53 29 3 1 54 6 31 1 55 28 5 2 56 28 30 1 57 31 30 1 58 30 3 1 59 45 21 ar