@MOLECULE 4-[(4-aminobenzoyl)amino]-1-{2,6-dideoxy-4-o-[(1s,2r,3s,4r,5s)-4-(dimethylamino)-2,3,5-trihydroxycyclohexyl]-beta-d-arabino-hexopyranosyl}-2(1h)-pyrimidinone 73 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.7212 -0.8166 0.7114 O.3 1 UNL1 -0.4107 2 O -0.1749 -1.1005 0.5491 O.3 1 UNL1 -0.4284 3 O -6.0753 -2.1061 0.0950 O.3 1 UNL1 -0.5394 4 O -7.3137 0.8345 1.7110 O.3 1 UNL1 -0.5750 5 O -6.2289 2.4307 -0.1510 O.3 1 UNL1 -0.5779 6 O -2.6535 2.1346 0.5879 O.3 1 UNL1 -0.5627 7 O 1.4210 0.9552 -0.9130 O.2 1 UNL1 -0.4272 8 O 5.8849 1.2776 -1.3267 O.2 1 UNL1 -0.3618 9 N -7.7690 -0.5820 -1.6956 N.3 1 UNL1 -0.4071 10 N 1.6350 0.0733 1.2014 N.ar 1 UNL1 -0.4841 11 N 3.5481 0.4289 -0.2524 N.ar 1 UNL1 -0.5414 12 N 5.7073 -0.1406 0.4805 N.am 1 UNL1 -0.5858 13 N 11.9405 -0.6382 -0.5944 N.pl3 1 UNL1 -0.6319 14 C -4.8633 -0.0119 0.5109 C.3 1 UNL1 0.0765 15 C -7.5644 0.4755 -0.6694 C.3 1 UNL1 -0.0902 16 C -6.0349 -0.9526 0.8808 C.3 1 UNL1 0.1192 17 C -7.3761 -0.1885 0.7268 C.3 1 UNL1 0.0706 18 C -6.3032 1.3246 -1.0192 C.3 1 UNL1 0.1622 19 C -5.0128 0.5064 -0.9172 C.3 1 UNL1 -0.3894 20 C -2.4702 -0.2765 0.3222 C.3 1 UNL1 -0.0015 21 C -2.0940 0.9658 1.1558 C.3 1 UNL1 0.1168 22 C -1.5386 -1.4794 0.6365 C.3 1 UNL1 0.1296 23 C -0.5871 1.2355 1.0560 C.3 1 UNL1 -0.3760 24 C 0.1814 -0.0343 1.4123 C.3 1 UNL1 0.2994 25 C -1.6793 -2.5722 -0.4140 C.3 1 UNL1 -0.4627 26 C -8.9930 -1.3717 -1.4237 C.3 1 UNL1 -0.2918 27 C -7.8349 -0.0167 -3.0626 C.3 1 UNL1 -0.2824 28 C 2.4572 -0.5217 2.1242 C.ar 1 UNL1 0.1750 29 C 2.1768 0.5167 -0.0890 C.ar 1 UNL1 0.7083 30 C 3.8104 -0.5938 1.9306 C.ar 1 UNL1 -0.4780 31 C 4.3314 -0.0749 0.6873 C.ar 1 UNL1 0.5015 32 C 6.4143 0.5217 -0.5638 C.2 1 UNL1 0.5869 33 C 7.8597 0.1903 -0.5549 C.ar 1 UNL1 -0.2585 34 C 8.7800 1.2294 -0.3944 C.ar 1 UNL1 -0.0004 35 C 8.2989 -1.1179 -0.7650 C.ar 1 UNL1 -0.0180 36 C 10.1401 0.9662 -0.4139 C.ar 1 UNL1 -0.3208 37 C 9.6550 -1.4021 -0.7984 C.ar 1 UNL1 -0.3206 38 C 10.5878 -0.3581 -0.6139 C.ar 1 UNL1 0.3057 39 H -6.2932 -1.8803 -0.8456 H 1 UNL1 0.3456 40 H -8.2022 1.1962 1.9014 H 1 UNL1 0.3288 41 H -6.4616 2.1626 0.7673 H 1 UNL1 0.3410 42 H -3.6327 2.1328 0.6121 H 1 UNL1 0.3274 43 H 6.2463 -0.6822 1.1509 H 1 UNL1 0.3187 44 H 12.6092 0.0993 -0.5827 H 1 UNL1 0.3018 45 H 12.2734 -1.5402 -0.8518 H 1 UNL1 0.3012 46 H -4.8226 0.8270 1.2488 H 1 UNL1 0.1276 47 H -8.4365 1.1764 -0.6098 H 1 UNL1 0.1340 48 H -5.9074 -1.3527 1.9133 H 1 UNL1 0.1619 49 H -8.2221 -0.8645 0.9742 H 1 UNL1 0.1326 50 H -6.3977 1.8156 -2.0142 H 1 UNL1 0.1441 51 H -5.0226 -0.3353 -1.6371 H 1 UNL1 0.1727 52 H -4.1498 1.1421 -1.2074 H 1 UNL1 0.1784 53 H -2.4643 -0.0352 -0.7611 H 1 UNL1 0.1569 54 H -2.4468 0.8723 2.2041 H 1 UNL1 0.1208 55 H -1.7406 -1.8630 1.6617 H 1 UNL1 0.1245 56 H -0.2936 2.0867 1.6953 H 1 UNL1 0.1708 57 H -0.3613 1.5759 0.0138 H 1 UNL1 0.2245 58 H -0.0260 -0.3450 2.4714 H 1 UNL1 0.1154 59 H -1.3070 -2.2346 -1.3913 H 1 UNL1 0.1671 60 H -2.7338 -2.8627 -0.5268 H 1 UNL1 0.1729 61 H -1.1035 -3.4640 -0.1419 H 1 UNL1 0.1527 62 H -8.8205 -2.0114 -0.5394 H 1 UNL1 0.1571 63 H -9.1826 -2.0616 -2.2635 H 1 UNL1 0.1524 64 H -9.8983 -0.7699 -1.2633 H 1 UNL1 0.1242 65 H -6.8224 0.2971 -3.3712 H 1 UNL1 0.1544 66 H -8.5226 0.8350 -3.1699 H 1 UNL1 0.1283 67 H -8.1446 -0.7994 -3.7754 H 1 UNL1 0.1499 68 H 1.9949 -0.9193 3.0389 H 1 UNL1 0.1615 69 H 4.4671 -1.0224 2.6725 H 1 UNL1 0.1808 70 H 8.4225 2.2541 -0.2588 H 1 UNL1 0.1625 71 H 7.5722 -1.9197 -0.9162 H 1 UNL1 0.1572 72 H 10.8565 1.7696 -0.2803 H 1 UNL1 0.1618 73 H 9.9995 -2.4162 -0.9677 H 1 UNL1 0.1606 @BOND 1 67 27 1 2 65 27 1 3 66 27 1 4 27 9 1 5 63 26 1 6 50 18 1 7 9 26 1 8 9 15 1 9 51 19 1 10 26 64 1 11 26 62 1 12 59 25 1 13 8 32 2 14 52 19 1 15 18 19 1 16 18 15 1 17 18 5 1 18 73 37 1 19 19 14 1 20 71 35 1 21 7 29 2 22 45 13 1 23 39 3 1 24 37 35 ar 25 37 38 ar 26 35 33 ar 27 53 20 1 28 15 47 1 29 15 17 1 30 38 13 1 31 38 36 ar 32 13 44 1 33 32 33 1 34 32 12 am 35 33 34 ar 36 60 25 1 37 25 61 1 38 25 22 1 39 36 34 ar 40 36 72 1 41 34 70 1 42 11 29 ar 43 11 31 ar 44 5 41 1 45 29 10 ar 46 57 23 1 47 3 16 1 48 20 22 1 49 20 1 1 50 20 21 1 51 12 31 1 52 12 43 1 53 14 1 1 54 14 16 1 55 14 46 1 56 2 22 1 57 2 24 1 58 6 42 1 59 6 21 1 60 22 55 1 61 31 30 ar 62 17 16 1 63 17 49 1 64 17 4 1 65 16 48 1 66 23 21 1 67 23 24 1 68 23 56 1 69 21 54 1 70 10 24 1 71 10 28 ar 72 24 58 1 73 4 40 1 74 30 28 ar 75 30 69 1 76 28 68 1