@MOLECULE 2(1h)-pyrimidinone, 4-amino-1-[4-amino-6-o-(3-amino-3-deoxyhexopyranosyl)-4-deoxyundecopyranosyl]- 77 79 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.2576 0.8526 -0.3091 O.3 1 UNL1 -0.4933 2 O 1.6969 0.7663 -0.3052 O.3 1 UNL1 -0.3823 3 O 3.2339 -0.6177 0.5447 O.3 1 UNL1 -0.4496 4 O -0.9459 4.5022 -1.9099 O.3 1 UNL1 -0.5703 5 O -3.5977 3.0111 -1.8512 O.3 1 UNL1 -0.5413 6 O -0.0525 -1.0413 1.0873 O.3 1 UNL1 -0.5558 7 O 3.7654 2.5411 -1.0921 O.3 1 UNL1 -0.5762 8 O -0.2252 -2.2542 -2.2692 O.3 1 UNL1 -0.5894 9 O 6.7491 -0.1045 1.3485 O.3 1 UNL1 -0.5597 10 O -1.3629 -3.4289 0.9657 O.3 1 UNL1 -0.5846 11 O 4.0319 -3.3159 1.1389 O.3 1 UNL1 -0.5244 12 O -1.5402 -5.7989 -0.4627 O.3 1 UNL1 -0.5386 13 O -4.8587 0.0970 -0.0569 O.2 1 UNL1 -0.4730 14 O -2.7046 -3.2632 -2.6313 O.3 1 UNL1 -0.5848 15 N 1.0880 2.5639 -2.6121 N.3 1 UNL1 -0.6563 16 N -3.1431 1.3670 0.7588 N.ar 1 UNL1 -0.4968 17 N 5.8491 2.5951 1.0176 N.3 1 UNL1 -0.6429 18 N -4.9767 0.6733 2.1683 N.ar 1 UNL1 -0.6241 19 N -4.9778 1.1699 4.4164 N.pl3 1 UNL1 -0.5846 20 C -0.3711 0.8476 -1.4127 C.3 1 UNL1 0.0669 21 C 0.8127 -0.0645 -1.0378 C.3 1 UNL1 0.0324 22 C 0.0439 2.3260 -1.6096 C.3 1 UNL1 -0.0472 23 C -1.2145 3.1191 -2.0336 C.3 1 UNL1 0.0940 24 C -2.4126 2.8833 -1.0927 C.3 1 UNL1 0.0478 25 C 0.4607 -1.3026 -0.1991 C.3 1 UNL1 0.1016 26 C -2.5301 1.4220 -0.5683 C.3 1 UNL1 0.2823 27 C 3.0515 0.4273 -0.3991 C.3 1 UNL1 0.2777 28 C 3.7962 1.7041 0.0491 C.3 1 UNL1 0.0791 29 C -0.6053 -2.1560 -0.9185 C.3 1 UNL1 0.0448 30 C 5.2789 1.3975 0.3587 C.3 1 UNL1 -0.0239 31 C 5.3666 0.1956 1.3217 C.3 1 UNL1 0.0737 32 C 4.5789 -1.0020 0.7565 C.3 1 UNL1 0.0097 33 C -0.6664 -3.5507 -0.2588 C.3 1 UNL1 0.0547 34 C 4.4552 -2.1392 1.7862 C.3 1 UNL1 -0.0201 35 C -1.4443 -4.5629 -1.1208 C.3 1 UNL1 0.1004 36 C -2.4735 1.8818 1.8384 C.ar 1 UNL1 0.1936 37 C -4.4170 0.6502 0.9194 C.ar 1 UNL1 0.7264 38 C -2.8621 -4.0709 -1.4634 C.3 1 UNL1 -0.0470 39 C -3.0338 1.8299 3.0890 C.ar 1 UNL1 -0.4755 40 C -4.3355 1.2247 3.2095 C.ar 1 UNL1 0.5108 41 H -0.8913 0.4280 -2.3050 H 1 UNL1 0.1473 42 H 1.3003 -0.4118 -1.9884 H 1 UNL1 0.1559 43 H 0.4022 2.7299 -0.6218 H 1 UNL1 0.1790 44 H -1.4962 2.9241 -3.0946 H 1 UNL1 0.1487 45 H -2.4123 3.6309 -0.2700 H 1 UNL1 0.1501 46 H 1.3925 -1.8770 0.0254 H 1 UNL1 0.1613 47 H -3.1029 0.7832 -1.2951 H 1 UNL1 0.1917 48 H 3.3357 0.0657 -1.4076 H 1 UNL1 0.1247 49 H 3.2821 2.1903 0.9067 H 1 UNL1 0.1648 50 H -1.6004 -1.6575 -0.8545 H 1 UNL1 0.1465 51 H 5.8126 1.1463 -0.5932 H 1 UNL1 0.1515 52 H 5.0277 0.4717 2.3435 H 1 UNL1 0.1495 53 H 5.0170 -1.3730 -0.1966 H 1 UNL1 0.1532 54 H 2.0129 2.4868 -2.2000 H 1 UNL1 0.2867 55 H 1.0187 1.9415 -3.4000 H 1 UNL1 0.2524 56 H 0.3441 -3.9527 -0.0227 H 1 UNL1 0.1365 57 H -0.0799 4.7001 -2.3395 H 1 UNL1 0.3466 58 H -3.8392 3.9517 -1.9609 H 1 UNL1 0.3337 59 H -0.6638 -0.2720 1.0619 H 1 UNL1 0.3439 60 H 5.4307 -2.4157 2.2198 H 1 UNL1 0.1373 61 H 3.7419 -1.8795 2.5930 H 1 UNL1 0.1433 62 H -0.8741 -4.8066 -2.0519 H 1 UNL1 0.1617 63 H 6.1465 3.2792 0.3367 H 1 UNL1 0.2481 64 H 6.6572 2.3440 1.5771 H 1 UNL1 0.2678 65 H 3.9120 3.4747 -0.8340 H 1 UNL1 0.3389 66 H -0.9678 -2.6851 -2.7687 H 1 UNL1 0.3625 67 H -1.4850 2.3313 1.6622 H 1 UNL1 0.1784 68 H 6.9295 -0.9017 1.8855 H 1 UNL1 0.3246 69 H -3.3254 -3.5008 -0.6424 H 1 UNL1 0.1451 70 H -3.5161 -4.9122 -1.7607 H 1 UNL1 0.1465 71 H -1.0920 -2.5847 1.4047 H 1 UNL1 0.3555 72 H -2.5199 2.2175 3.9564 H 1 UNL1 0.1864 73 H 3.1290 -3.1799 0.7709 H 1 UNL1 0.3235 74 H -1.8492 -5.6644 0.4614 H 1 UNL1 0.3344 75 H -3.2404 -2.4529 -2.5515 H 1 UNL1 0.3317 76 H -4.5911 1.5949 5.2290 H 1 UNL1 0.3107 77 H -5.8910 0.7564 4.4776 H 1 UNL1 0.3254 @BOND 1 55 15 1 2 44 23 1 3 66 8 1 4 14 75 1 5 14 38 1 6 15 54 1 7 15 22 1 8 57 4 1 9 41 20 1 10 8 29 1 11 62 35 1 12 23 4 1 13 23 22 1 14 23 24 1 15 42 21 1 16 58 5 1 17 5 24 1 18 70 38 1 19 22 20 1 20 22 43 1 21 38 35 1 22 38 69 1 23 20 21 1 24 20 1 1 25 48 27 1 26 47 26 1 27 35 12 1 28 35 33 1 29 24 26 1 30 24 45 1 31 7 65 1 32 7 28 1 33 21 2 1 34 21 25 1 35 29 50 1 36 29 33 1 37 29 25 1 38 51 30 1 39 26 1 1 40 26 16 1 41 12 74 1 42 27 2 1 43 27 28 1 44 27 3 1 45 33 56 1 46 33 10 1 47 25 46 1 48 25 6 1 49 53 32 1 50 13 37 2 51 28 30 1 52 28 49 1 53 63 17 1 54 30 17 1 55 30 31 1 56 3 32 1 57 32 31 1 58 32 34 1 59 16 37 ar 60 16 36 ar 61 73 11 1 62 37 18 ar 63 10 71 1 64 17 64 1 65 59 6 1 66 11 34 1 67 31 9 1 68 31 52 1 69 9 68 1 70 67 36 1 71 34 60 1 72 34 61 1 73 36 39 ar 74 18 40 ar 75 39 40 ar 76 39 72 1 77 40 19 1 78 19 77 1 79 19 76 1