@MOLECULE (2r)-2-{(9r,10s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9,10-tetrahydroxy-8,8-dimethyl-3,5-dioxido-14,19-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}-2-hydroxysuccinic acid 60 57 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -10.2924 0.1159 1.7006 C.2 1 UNL1 0.4425 2 O -39.9658 -0.8187 -0.6467 O.2 1 UNL1 -0.3232 3 C -40.1572 -1.9709 -0.6484 C.1 1 UNL1 0.6467 4 O -40.3489 -3.1232 -0.6501 O.2 1 UNL1 -0.3235 5 C -13.9426 1.2560 1.0944 C.3 1 UNL1 0.3693 6 C -12.7924 0.5313 1.8293 C.2 1 UNL1 0.1925 7 C -12.3100 2.0779 -0.4642 C.3 1 UNL1 0.4804 8 O -11.3445 1.4725 0.1272 O.3 1 UNL1 -0.3996 9 O -13.5505 1.9261 0.0602 O.3 1 UNL1 -0.5060 10 O -13.0609 -0.1092 2.8256 O.2 1 UNL1 -0.4011 11 C -11.4881 0.6729 1.2670 C.3 1 UNL1 -0.3400 12 O -10.0105 -0.6227 2.6237 O.2 1 UNL1 -0.4428 13 C -9.1480 0.5359 0.8411 C.3 1 UNL1 0.3922 14 C -8.1862 0.8827 0.1549 C.1 1 UNL1 -0.4592 15 C -7.1541 1.2769 -0.5902 C.1 1 UNL1 0.5896 16 N -6.2316 1.6207 -1.2236 N.am 1 UNL1 -0.3987 17 C -5.0941 2.0704 -2.0114 C.2 1 UNL1 0.7223 18 O -5.3368 2.4561 -3.1117 O.2 1 UNL1 -0.2731 19 C -3.9011 1.9623 -1.2883 C.1 1 UNL1 -0.3743 20 C -2.8448 1.8841 -0.6796 C.1 1 UNL1 0.3990 21 N -1.7272 1.8068 -0.0205 N.1 1 UNL1 -0.5624 22 C -0.6765 1.7284 0.5724 C.1 1 UNL1 0.5598 23 O 4.1232 2.4450 2.4038 O.3 2 UNL2 -0.2183 24 C 3.4487 1.9650 1.6010 C.1 2 UNL2 0.6975 25 O -0.1825 -0.8868 -2.6452 O.3 2 UNL2 -0.3063 26 C 1.1114 0.3195 -0.9671 C.1 2 UNL2 -0.7554 27 C 0.4541 -0.3244 -1.8521 C.1 2 UNL2 0.6220 28 C 2.6316 1.4365 0.7452 C.1 2 UNL2 -0.6629 29 C 1.9002 0.8714 -0.1151 C.3 2 UNL2 0.6379 30 O 4.3122 -1.1759 2.3686 O.2 3 UNL3 -0.2390 31 P 4.4613 -1.5871 0.9982 P.3 3 UNL3 0.3841 32 O 5.7577 -0.8906 0.4344 O.3 3 UNL3 0.0309 33 O 3.7187 -2.4583 0.1335 O.2 3 UNL3 -0.2126 34 O 5.7864 -1.3782 -0.9528 O.3 3 UNL3 0.0222 35 P 7.3205 -1.0873 -1.3188 P.3 3 UNL3 0.3227 36 O 7.5699 -1.5096 -2.6863 O.2 3 UNL3 -0.1586 37 O 7.9360 -0.0222 -0.5255 O.3 3 UNL3 -0.4336 38 O 8.8633 0.5900 2.7329 O.2 3 UNL3 -0.4135 39 C 9.1860 0.7872 1.5904 C.2 3 UNL3 0.5141 40 C 9.9243 -0.2839 0.7774 C.2 3 UNL3 0.2563 41 C 9.9610 -1.6063 1.4917 C.3 3 UNL3 0.3552 42 O 9.4447 -2.7163 1.4064 O.3 3 UNL3 -0.1013 43 P 8.3436 -3.4132 0.4572 P.3 3 UNL3 0.4563 44 O 7.4235 -4.3857 1.2728 O.3 3 UNL3 -0.0290 45 O 7.9479 -2.5512 -0.6878 O.3 3 UNL3 -0.2079 46 O 8.5847 -4.9532 0.3214 O.3 3 UNL3 -0.0170 47 O 10.6612 -0.0188 -0.1312 O.2 3 UNL3 -0.3351 48 C 11.3860 2.5822 -1.3262 C.1 3 UNL3 0.4429 49 C 5.4604 -4.0163 -2.1450 C.2 2 UNL2 0.4826 50 O 6.0558 -4.9907 -2.1048 O.2 2 UNL2 -0.4814 51 N 10.2757 2.5035 -0.8957 N.1 3 UNL3 -0.5727 52 C 9.0182 2.3297 -0.3920 C.2 3 UNL3 0.3971 53 C 7.8735 2.4427 -1.1384 C.2 3 UNL3 0.1594 54 N 7.8996 2.6582 -2.4933 N.1 3 UNL3 -0.5349 55 C 7.9168 2.7689 -3.6753 C.1 3 UNL3 0.3933 56 N 8.9603 2.0610 1.0207 N.am 3 UNL3 -0.4419 57 C 8.4630 3.0594 1.8086 C.1 3 UNL3 0.2343 58 N 8.0691 3.9214 2.4752 N.1 3 UNL3 -0.1965 59 C 6.5770 2.3263 -0.5473 C.1 3 UNL3 0.1453 60 N 5.5270 2.2492 -0.0695 N.1 3 UNL3 -0.2265 @BOND 1 55 54 3 2 18 17 2 3 36 35 2 4 25 27 1 5 54 53 1 6 49 50 2 7 17 19 1 8 17 16 am 9 27 26 3 10 48 51 3 11 35 34 1 12 35 45 1 13 35 37 1 14 19 20 3 15 16 15 1 16 53 59 1 17 53 52 2 18 26 29 1 19 34 32 1 20 51 52 1 21 45 43 1 22 20 21 1 23 4 3 2 24 3 2 2 25 15 14 3 26 59 60 3 27 7 9 1 28 7 8 1 29 52 56 1 30 47 40 2 31 29 28 1 32 21 22 3 33 9 5 1 34 8 11 1 35 33 31 2 36 14 13 1 37 46 43 1 38 46 44 1 39 32 31 1 40 43 44 1 41 43 42 1 42 28 24 3 43 40 41 1 44 40 39 1 45 13 1 1 46 31 30 2 47 56 39 am 48 56 57 1 49 5 6 1 50 11 1 1 51 11 6 1 52 42 41 1 53 39 38 2 54 24 23 1 55 1 12 2 56 57 58 3 57 6 10 2