@MOLECULE 1-[5-o-(adamantan-1-ylcarbonyl)-beta-d-arabinofuranosyl]-4-amino-2(1h)-pyrimidinone 56 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.0130 1.2575 -0.2943 O.3 1 UNL1 -0.4080 2 O 1.8231 0.8933 -2.3459 O.2 1 UNL1 -0.5128 3 O -1.5181 1.0599 0.9069 O.3 1 UNL1 -0.3943 4 O -2.8939 3.7141 0.7155 O.3 1 UNL1 -0.4898 5 O -4.6578 2.1804 -0.4093 O.3 1 UNL1 -0.4996 6 O -5.1086 -0.6336 1.0891 O.2 1 UNL1 -0.5019 7 N -2.9820 -0.6057 0.2720 N.ar 1 UNL1 -0.5110 8 N -4.2965 -2.6282 0.2648 N.ar 1 UNL1 -0.6221 9 N -3.4336 -4.5632 -0.6277 N.pl3 1 UNL1 -0.5857 10 C 3.1457 0.2123 -0.4102 C.3 1 UNL1 0.0046 11 C 5.3911 -0.8746 -0.7029 C.3 1 UNL1 -0.0771 12 C 3.8694 -1.5972 1.1674 C.3 1 UNL1 -0.0731 13 C 4.9769 0.6656 1.2437 C.3 1 UNL1 -0.0756 14 C 4.1884 -0.2627 -1.4414 C.3 1 UNL1 -0.2906 15 C 2.6623 -0.9868 0.4285 C.3 1 UNL1 -0.2885 16 C 3.7720 1.2810 0.5063 C.3 1 UNL1 -0.2913 17 C 4.9170 -2.0707 0.1437 C.3 1 UNL1 -0.2959 18 C 6.0197 0.1888 0.2173 C.3 1 UNL1 -0.2936 19 C 4.4989 -0.5322 2.0847 C.3 1 UNL1 -0.2938 20 C 1.9705 0.8061 -1.1545 C.2 1 UNL1 0.5646 21 C -0.1397 1.8254 -0.9240 C.3 1 UNL1 -0.0771 22 C -1.0707 2.2245 0.2188 C.3 1 UNL1 0.0298 23 C -2.3445 2.9348 -0.3145 C.3 1 UNL1 0.0582 24 C -3.3328 1.7512 -0.5091 C.3 1 UNL1 0.0706 25 C -2.8872 0.8076 0.6424 C.3 1 UNL1 0.2216 26 C -1.9246 -1.2476 -0.3053 C.ar 1 UNL1 0.2048 27 C -4.2350 -1.3023 0.5865 C.ar 1 UNL1 0.7225 28 C -2.0285 -2.5713 -0.6526 C.ar 1 UNL1 -0.4916 29 C -3.2587 -3.2400 -0.3370 C.ar 1 UNL1 0.5107 30 H 6.1474 -1.2185 -1.4445 H 1 UNL1 0.1269 31 H 3.5242 -2.4614 1.7786 H 1 UNL1 0.1279 32 H 5.4314 1.4326 1.9109 H 1 UNL1 0.1265 33 H 3.7370 -1.0013 -2.1297 H 1 UNL1 0.1505 34 H 4.5128 0.5799 -2.0800 H 1 UNL1 0.1496 35 H 2.1847 -1.7467 -0.2160 H 1 UNL1 0.1414 36 H 1.8951 -0.6645 1.1575 H 1 UNL1 0.1566 37 H 4.0913 2.1580 -0.0821 H 1 UNL1 0.1407 38 H 3.0243 1.6501 1.2340 H 1 UNL1 0.1531 39 H 5.7753 -2.5295 0.6645 H 1 UNL1 0.1358 40 H 4.4944 -2.8559 -0.5066 H 1 UNL1 0.1354 41 H 6.8998 -0.2307 0.7355 H 1 UNL1 0.1360 42 H 6.3893 1.0402 -0.3795 H 1 UNL1 0.1365 43 H 5.3448 -0.9663 2.6449 H 1 UNL1 0.1358 44 H 3.7671 -0.1980 2.8412 H 1 UNL1 0.1397 45 H 0.1823 2.7017 -1.5228 H 1 UNL1 0.1473 46 H -0.5893 1.0760 -1.6003 H 1 UNL1 0.1461 47 H -0.5369 2.8000 1.0042 H 1 UNL1 0.1679 48 H -2.1981 3.5427 -1.2229 H 1 UNL1 0.1378 49 H -3.2339 1.2923 -1.5158 H 1 UNL1 0.1446 50 H -3.4423 0.9977 1.6041 H 1 UNL1 0.1923 51 H -2.3427 4.5046 0.8844 H 1 UNL1 0.3055 52 H -5.1739 1.5492 0.1496 H 1 UNL1 0.3434 53 H -0.9967 -0.6782 -0.4682 H 1 UNL1 0.1880 54 H -1.2130 -3.0987 -1.1276 H 1 UNL1 0.1860 55 H -4.2969 -5.0177 -0.3955 H 1 UNL1 0.3248 56 H -2.7350 -5.0884 -1.1032 H 1 UNL1 0.3100 @BOND 1 2 20 2 2 33 14 1 3 34 14 1 4 46 21 1 5 45 21 1 6 49 24 1 7 30 11 1 8 14 11 1 9 14 10 1 10 48 23 1 11 20 10 1 12 20 1 1 13 54 28 1 14 56 9 1 15 21 1 1 16 21 22 1 17 11 17 1 18 11 18 1 19 28 29 ar 20 28 26 ar 21 9 55 1 22 9 29 1 23 24 5 1 24 24 23 1 25 24 25 1 26 40 17 1 27 53 26 1 28 10 15 1 29 10 16 1 30 5 52 1 31 42 18 1 32 29 8 ar 33 23 22 1 34 23 4 1 35 26 7 ar 36 35 15 1 37 37 16 1 38 17 39 1 39 17 12 1 40 18 41 1 41 18 13 1 42 22 3 1 43 22 47 1 44 8 27 ar 45 7 27 ar 46 7 25 1 47 15 36 1 48 15 12 1 49 16 38 1 50 16 13 1 51 27 6 2 52 25 3 1 53 25 50 1 54 4 51 1 55 12 31 1 56 12 19 1 57 13 32 1 58 13 19 1 59 19 43 1 60 19 44 1