@MOLECULE [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl hydrogen phosphate (non-preferred name) 66 71 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C2* 2.7238 -0.4071 -0.8609 C.3 1 A1 0.0557 2 C1* 2.9023 -0.0067 0.6339 C.3 1 A1 0.2418 3 C3* 2.8486 -1.9602 -0.8032 C.3 1 A1 0.0914 4 C4* 3.8434 -2.1375 0.3767 C.3 1 A1 0.0236 5 C4* -1.1692 -1.2642 -0.0870 C.3 2 A2 0.0533 6 C3* -2.0645 -2.1608 0.7986 C.3 2 A2 0.0896 7 C1* -2.9219 0.1103 0.6019 C.3 2 A2 0.2462 8 C2* -3.3512 -1.3310 1.0126 C.3 2 A2 0.0367 9 C8 4.6483 1.4661 1.8202 C.ar 1 A1 0.1379 10 C2 3.0899 3.8461 -1.6088 C.ar 1 A1 0.3078 11 C8 -3.9091 1.4619 -1.3757 C.ar 2 A2 0.1610 12 C2 -7.1293 0.9160 1.6579 C.ar 2 A2 0.3111 13 C5* 5.3030 -2.1152 -0.1014 C.3 1 A1 -0.0565 14 C5* -0.9247 -1.8343 -1.4916 C.3 2 A2 -0.0380 15 H2* 1.4971 0.9773 -1.4667 H 1 A1 0.3532 16 H5* 5.8850 -0.9749 1.3817 H 1 A1 0.3174 17 H61 6.1756 5.3096 1.1574 H 1 A1 0.3309 18 H62 5.6640 6.3514 -0.1264 H 1 A1 0.3247 19 H3* -1.8798 -2.2046 2.7730 H 2 A2 0.3580 20 H2* -4.5092 -0.7869 2.5002 H 2 A2 0.3771 21 H61 -7.6918 3.1433 -2.0908 H 2 A2 0.3297 22 H62 -9.0289 3.0172 -0.9998 H 2 A2 0.3248 23 C6 4.7351 4.5171 -0.0673 C.ar 1 A1 0.4715 24 C6 -7.3057 2.0807 -0.3802 C.ar 2 A2 0.4702 25 O1P 1.5703 -4.5927 -1.9197 O.2 2 A2 -0.2142 26 O2* 1.4712 -0.0113 -1.3221 O.3 1 A1 -0.5182 27 O2P 0.5118 -4.5057 0.3900 O.3 2 A2 -0.2883 28 O5* 6.1634 -1.8278 0.9777 O.3 1 A1 -0.5149 29 O3* -1.3391 -2.4146 1.9765 O.3 2 A2 -0.5708 30 O2* -3.7019 -1.3626 2.3661 O.3 2 A2 -0.5671 31 O3* 1.5922 -2.4338 -0.3520 O.3 1 A1 -0.3152 32 O5* -0.5258 -3.2068 -1.4715 O.3 2 A2 -0.2773 33 H2P 0.0075 -3.8490 1.0165 H 2 A2 0.3358 34 O4* 3.6361 -1.0325 1.2651 O.3 1 A1 -0.4198 35 O4* -1.8452 -0.0125 -0.2990 O.3 2 A2 -0.4270 36 N6 5.5990 5.4735 0.3525 N.pl3 1 A1 -0.5416 37 N6 -8.0764 2.8057 -1.2282 N.pl3 2 A2 -0.5437 38 N3 2.8835 2.6180 -1.0854 N.ar 1 A1 -0.5557 39 N7 5.1942 2.6731 1.6929 N.ar 1 A1 -0.3321 40 N1 3.9597 4.7827 -1.1641 N.ar 1 A1 -0.5690 41 N3 -5.8380 0.5480 1.5092 N.ar 2 A2 -0.5555 42 N7 -5.0708 2.0276 -1.6977 N.ar 2 A2 -0.3470 43 N1 -7.8692 1.6432 0.7886 N.ar 2 A2 -0.5683 44 P 0.8890 -3.7547 -0.9535 P.3 2 A2 0.3328 45 C4 3.6504 2.3461 0.0058 C.ar 1 A1 0.2750 46 C5 4.6013 3.2575 0.5767 C.ar 1 A1 -0.1960 47 C4 -5.2720 0.9842 0.3516 C.ar 2 A2 0.2705 48 C5 -5.9487 1.7567 -0.6497 C.ar 2 A2 -0.1922 49 N9 3.6959 1.2111 0.7990 N.ar 1 A1 -0.3816 50 N9 -3.9821 0.8031 -0.1221 N.ar 2 A2 -0.3751 51 H2* 3.5150 0.0243 -1.5134 H 1 A1 0.1441 52 H1* 1.9318 0.0871 1.1854 H 1 A1 0.1775 53 H3* 3.2253 -2.3741 -1.7622 H 1 A1 0.1554 54 H4* 3.6284 -3.0141 1.0265 H 1 A1 0.1826 55 H8 4.8611 0.7420 2.5952 H 1 A1 0.2092 56 H5*1 5.6332 -3.1144 -0.4451 H 1 A1 0.1553 57 H5*2 5.4795 -1.3746 -0.9013 H 1 A1 0.1199 58 H2 2.4893 4.1205 -2.4945 H 1 A1 0.2005 59 H5*1 -1.8761 -1.9402 -2.0627 H 2 A2 0.1417 60 H5*2 -0.2394 -1.1793 -2.0709 H 2 A2 0.1669 61 H4* -0.2191 -0.9856 0.4344 H 2 A2 0.1858 62 H3* -2.2839 -3.1587 0.3585 H 2 A2 0.1621 63 H1* -2.5844 0.7304 1.4728 H 2 A2 0.1700 64 H2* -4.2000 -1.7110 0.4055 H 2 A2 0.1503 65 H8 -2.9966 1.4756 -1.9579 H 2 A2 0.2138 66 H2 -7.6399 0.5923 2.5827 H 2 A2 0.2026 @BOND 1 58 10 1 2 21 37 1 3 60 14 1 4 59 14 1 5 65 11 1 6 25 44 2 7 53 3 1 8 42 11 ar 9 42 48 ar 10 10 40 ar 11 10 38 ar 12 51 1 1 13 14 32 1 14 14 5 1 15 32 44 1 16 15 26 1 17 11 50 ar 18 26 1 1 19 37 22 1 20 37 24 1 21 40 23 ar 22 38 45 ar 23 44 31 1 24 44 27 1 25 57 13 1 26 1 3 1 27 1 2 1 28 3 31 1 29 3 4 1 30 48 24 ar 31 48 47 ar 32 56 13 1 33 24 43 ar 34 35 5 1 35 35 7 1 36 18 36 1 37 50 47 ar 38 50 7 1 39 13 4 1 40 13 28 1 41 5 61 1 42 5 6 1 43 23 36 1 44 23 46 ar 45 45 46 ar 46 45 49 ar 47 47 41 ar 48 36 17 1 49 62 6 1 50 4 54 1 51 4 34 1 52 27 33 1 53 64 8 1 54 46 39 ar 55 7 8 1 56 7 63 1 57 2 49 1 58 2 52 1 59 2 34 1 60 43 12 ar 61 6 8 1 62 6 29 1 63 49 9 ar 64 28 16 1 65 8 30 1 66 41 12 ar 67 12 66 1 68 39 9 ar 69 9 55 1 70 29 19 1 71 30 20 1