@MOLECULE 3-(2-deoxy-beta-d-erythro-pentofuranosyl)-6-octylfuro[2,3-d]pyrimidin-2(3h)-one 54 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 3.8294 -0.9220 -1.0741 O.3 1 UNL1 -0.4403 2 O3* 5.0663 -2.9981 1.2133 O.3 1 UNL1 -0.5412 3 O5* 2.2185 -2.8922 -2.4501 O.3 1 UNL1 -0.5286 4 O -0.5837 3.1178 0.2918 O.2 1 UNL1 -0.2066 5 O 3.6209 1.8753 1.8488 O.2 1 UNL1 -0.4588 6 N 2.7228 0.8084 0.0538 N.ar 1 UNL1 -0.5107 7 N 1.5168 2.5943 1.2266 N.ar 1 UNL1 -0.5180 8 C3* 3.8857 -2.2901 0.9021 C.3 1 UNL1 0.1193 9 C1* 3.9616 -0.0208 -0.0002 C.3 1 UNL1 0.3248 10 C2* 4.1688 -0.8333 1.2849 C.3 1 UNL1 -0.3553 11 C4* 3.6705 -2.2691 -0.6261 C.3 1 UNL1 0.0070 12 C5* 2.2785 -2.7422 -1.0490 C.3 1 UNL1 -0.0501 13 C 1.7455 0.6743 -0.8896 C.ar 1 UNL1 0.1756 14 C 0.6324 1.4688 -0.7851 C.ar 1 UNL1 -0.3058 15 C 2.6581 1.8142 1.1263 C.ar 1 UNL1 0.6856 16 C -3.6531 2.5819 -0.0872 C.3 1 UNL1 -0.2551 17 C -3.9791 1.1746 -0.6005 C.3 1 UNL1 -0.2740 18 C -2.6070 3.2765 -0.9778 C.3 1 UNL1 -0.2917 19 C -4.9627 0.4690 0.3405 C.3 1 UNL1 -0.2716 20 C -1.2955 2.6277 -0.8343 C.ar 1 UNL1 0.1719 21 C 0.5881 2.4076 0.3154 C.ar 1 UNL1 0.4203 22 C -5.2477 -0.9561 -0.1501 C.3 1 UNL1 -0.2762 23 C -0.6105 1.6613 -1.4981 C.ar 1 UNL1 -0.2362 24 C -6.2386 -1.6631 0.7828 C.3 1 UNL1 -0.2726 25 C -6.5167 -3.0923 0.2992 C.3 1 UNL1 -0.2515 26 C -7.5000 -3.8013 1.2312 C.3 1 UNL1 -0.4394 27 H1* 4.8167 0.6460 -0.2778 H 1 UNL1 0.1700 28 H3* 3.0383 -2.7321 1.4628 H 1 UNL1 0.1280 29 H2*1 5.2142 -0.7271 1.6527 H 1 UNL1 0.2004 30 H2*2 3.5444 -0.4902 2.1296 H 1 UNL1 0.1896 31 H4* 4.4736 -2.8196 -1.1696 H 1 UNL1 0.1730 32 H5*1 1.4791 -2.0501 -0.7271 H 1 UNL1 0.1322 33 H5*2 2.0527 -3.7592 -0.6765 H 1 UNL1 0.1493 34 H 1.8770 -0.0556 -1.7002 H 1 UNL1 0.1890 35 H3* 4.9315 -3.9633 1.1441 H 1 UNL1 0.3167 36 H -4.4015 1.2279 -1.6207 H 1 UNL1 0.1354 37 H -3.0497 0.5783 -0.6875 H 1 UNL1 0.1447 38 H -3.2810 2.5318 0.9556 H 1 UNL1 0.1527 39 H -4.5733 3.1953 -0.0508 H 1 UNL1 0.1418 40 H -2.9354 3.2641 -2.0394 H 1 UNL1 0.1664 41 H -2.5404 4.3542 -0.6998 H 1 UNL1 0.1720 42 H -4.5511 0.4391 1.3673 H 1 UNL1 0.1403 43 H -5.9054 1.0427 0.4077 H 1 UNL1 0.1361 44 H -5.6499 -0.9292 -1.1799 H 1 UNL1 0.1354 45 H -4.3052 -1.5321 -0.2074 H 1 UNL1 0.1371 46 H -0.9020 1.1252 -2.3776 H 1 UNL1 0.1805 47 H -7.1844 -1.0920 0.8354 H 1 UNL1 0.1368 48 H -5.8408 -1.6841 1.8145 H 1 UNL1 0.1379 49 H5* 2.5754 -2.0914 -2.8921 H 1 UNL1 0.3209 50 H -5.5711 -3.6637 0.2426 H 1 UNL1 0.1332 51 H -6.9206 -3.0718 -0.7306 H 1 UNL1 0.1335 52 H -8.4618 -3.2781 1.2718 H 1 UNL1 0.1428 53 H -7.6961 -4.8257 0.8961 H 1 UNL1 0.1406 54 H -7.1117 -3.8579 2.2542 H 1 UNL1 0.1428 @BOND 1 49 3 1 2 3 12 1 3 46 23 1 4 40 18 1 5 34 13 1 6 36 17 1 7 23 20 ar 8 23 14 ar 9 44 22 1 10 31 11 1 11 1 11 1 12 1 9 1 13 12 32 1 14 12 33 1 15 12 11 1 16 18 20 1 17 18 41 1 18 18 16 1 19 13 14 ar 20 13 6 ar 21 20 4 ar 22 14 21 ar 23 51 25 1 24 37 17 1 25 11 8 1 26 17 16 1 27 17 19 1 28 27 9 1 29 45 22 1 30 22 19 1 31 22 24 1 32 16 39 1 33 16 38 1 34 9 6 1 35 9 10 1 36 6 15 ar 37 50 25 1 38 4 21 ar 39 25 24 1 40 25 26 1 41 21 7 ar 42 19 43 1 43 19 42 1 44 24 47 1 45 24 48 1 46 53 26 1 47 8 2 1 48 8 10 1 49 8 28 1 50 15 7 ar 51 15 5 2 52 35 2 1 53 26 52 1 54 26 54 1 55 10 29 1 56 10 30 1