@MOLECULE (2r)-2-[(9-{(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydro-2-furanyl}-9h-purin-6-yl)amino]-3-phosphonopropanoic acid 51 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.9715 -0.0550 -1.1977 C.3 1 UNL1 0.2448 2 C -2.5733 -1.4205 -0.7427 C.3 1 UNL1 0.0354 3 C -4.0734 -1.1151 -0.5335 C.3 1 UNL1 0.0970 4 C -4.1483 0.4296 -0.5075 C.3 1 UNL1 0.0299 5 CA 5.1124 -0.7329 0.6400 C.3 1 UNL1 0.0700 6 C -0.2744 1.3512 0.1701 C.ar 1 UNL1 0.1529 7 C 1.7552 -2.3918 -1.1469 C.ar 1 UNL1 0.3117 8 C -4.5299 0.9937 0.8703 C.3 1 UNL1 -0.0429 9 C 6.2770 0.2922 0.6452 C.3 1 UNL1 -0.1983 10 H -1.4504 -2.5522 -1.8790 H 1 UNL1 0.3720 11 H -4.3926 -1.8601 -2.3448 H 1 UNL1 0.3527 12 H 3.7218 0.8418 1.1097 H 1 UNL1 0.3564 13 C 2.7263 -0.6280 0.0780 C.ar 1 UNL1 0.4701 14 OXT 4.5875 -1.7440 2.8445 O.2 1 UNL1 -0.4580 15 O -8.1415 0.9680 1.9271 O.2 1 UNL1 -0.2098 16 O 6.2178 1.2616 -2.1042 O.2 1 UNL1 -0.3329 17 O -2.4246 -2.3469 -1.7807 O.3 1 UNL1 -0.5554 18 O -4.9108 -1.5834 -1.5548 O.3 1 UNL1 -0.5588 19 O 6.4719 -2.2765 1.7730 O.3 1 UNL1 -0.5806 20 O -7.5922 -0.5438 -0.0198 O.3 1 UNL1 -0.3203 21 O -6.9063 1.8709 -0.2185 O.3 1 UNL1 -0.4322 22 O 4.9717 2.4008 -0.1515 O.3 1 UNL1 -0.4307 23 O 7.4933 2.4229 -0.1900 O.3 1 UNL1 -0.4128 24 C 5.2910 -1.6093 1.8868 C.2 1 UNL1 0.5949 25 O -5.7196 0.3972 1.3920 O.3 1 UNL1 -0.2572 26 H 6.6510 -2.9039 2.5136 H 1 UNL1 0.3592 27 H -6.8040 -0.8060 -0.6327 H 1 UNL1 0.3329 28 H -7.7516 2.4108 -0.3832 H 1 UNL1 0.3301 29 H 4.5937 2.9930 -0.8833 H 1 UNL1 0.3319 30 H 7.7558 3.0889 -0.9113 H 1 UNL1 0.3265 31 O -2.8474 0.9677 -0.7894 O.3 1 UNL1 -0.4312 32 N 1.0045 1.2618 0.5299 N.ar 1 UNL1 -0.3388 33 N 0.5210 -1.8521 -1.2407 N.ar 1 UNL1 -0.5558 34 N 2.8330 -1.8492 -0.5333 N.ar 1 UNL1 -0.5774 35 N 3.7978 -0.1022 0.7235 N.pl3 1 UNL1 -0.4403 36 P -7.1997 0.7164 0.8554 P.3 1 UNL1 0.3440 37 P 6.2328 1.5600 -0.6772 P.3 1 UNL1 0.3003 38 C 0.4100 -0.6347 -0.6416 C.ar 1 UNL1 0.2646 39 C 1.4706 0.0420 0.0446 C.ar 1 UNL1 -0.1826 40 N -0.6904 0.2041 -0.5516 N.ar 1 UNL1 -0.3770 41 H -1.8563 0.0186 -2.3109 H 1 UNL1 0.1668 42 H -2.0946 -1.8144 0.1787 H 1 UNL1 0.1545 43 H -4.4805 -1.5947 0.3867 H 1 UNL1 0.1743 44 H -4.7894 0.8212 -1.3326 H 1 UNL1 0.1741 45 H -0.9503 2.1695 0.3767 H 1 UNL1 0.2113 46 H -3.8099 0.6689 1.6579 H 1 UNL1 0.1476 47 H -4.5429 2.1021 0.8520 H 1 UNL1 0.1483 48 H 1.9083 -3.3794 -1.6189 H 1 UNL1 0.2006 49 HA 5.1629 -1.4249 -0.2657 H 1 UNL1 0.2232 50 H 6.3228 0.8283 1.6429 H 1 UNL1 0.2007 51 H 7.2581 -0.2752 0.5465 H 1 UNL1 0.2142 @BOND 1 11 18 1 2 41 1 1 3 16 37 2 4 10 17 1 5 17 2 1 6 48 7 1 7 18 3 1 8 44 4 1 9 33 7 ar 10 33 38 ar 11 1 31 1 12 1 2 1 13 1 40 1 14 7 34 ar 15 30 23 1 16 29 22 1 17 31 4 1 18 2 3 1 19 2 42 1 20 37 23 1 21 37 22 1 22 37 9 1 23 38 40 ar 24 38 39 ar 25 27 20 1 26 40 6 ar 27 3 4 1 28 3 43 1 29 34 13 ar 30 4 8 1 31 28 21 1 32 49 5 1 33 21 36 1 34 20 36 1 35 39 13 ar 36 39 32 ar 37 13 35 1 38 6 45 1 39 6 32 ar 40 51 9 1 41 5 9 1 42 5 35 1 43 5 24 1 44 9 50 1 45 35 12 1 46 47 8 1 47 36 25 1 48 36 15 2 49 8 25 1 50 8 46 1 51 19 24 1 52 19 26 1 53 24 14 2