@MOLECULE 2(1h)-pyrimidinone, 4-amino-1-[4-amino-6-o-(3-amino-3-deoxy-beta-d-glucopyranosyl)-4-deoxy-d-glycero-d-galacto-beta-d-gluco-undecopyranosyl]- 77 79 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.5145 0.0461 0.2345 O.3 1 UNL1 -0.4924 2 O 1.2764 0.2052 -0.6642 O.3 1 UNL1 -0.4049 3 O 1.7560 2.2887 0.0636 O.3 1 UNL1 -0.4552 4 O -2.5175 1.5481 3.8475 O.3 1 UNL1 -0.5646 5 O -4.1751 2.1652 1.5072 O.3 1 UNL1 -0.5782 6 O -0.0590 -2.0110 -0.7154 O.3 1 UNL1 -0.5651 7 O 3.1570 0.5430 -2.7903 O.3 1 UNL1 -0.5609 8 O 2.3625 -2.0383 1.8687 O.3 1 UNL1 -0.5866 9 O 3.8264 4.9689 -1.2612 O.3 1 UNL1 -0.5403 10 O 0.8403 -4.2712 1.9662 O.3 1 UNL1 -0.5353 11 O 1.9059 3.9671 2.3409 O.3 1 UNL1 -0.5633 12 O 3.7518 -4.2398 1.2697 O.3 1 UNL1 -0.6014 13 O -4.9616 1.6409 -1.0168 O.2 1 UNL1 -0.5245 14 O 4.2226 -5.8475 -0.8832 O.3 1 UNL1 -0.5588 15 N 0.2473 1.4593 3.1479 N.3 1 UNL1 -0.6505 16 N -3.6408 -0.1399 -0.5261 N.ar 1 UNL1 -0.5065 17 N 3.1630 3.3514 -3.6453 N.3 1 UNL1 -0.6470 18 N -5.5076 -0.3462 -2.0483 N.ar 1 UNL1 -0.6151 19 N -6.0359 -2.3855 -2.9698 N.pl3 1 UNL1 -0.5728 20 C -0.4549 0.7289 0.8981 C.3 1 UNL1 0.0843 21 C 0.7869 -0.1371 0.6251 C.3 1 UNL1 0.0413 22 C -0.8434 0.8025 2.3938 C.3 1 UNL1 -0.0401 23 C -2.1221 1.6644 2.4966 C.3 1 UNL1 0.1119 24 C -3.2473 1.1134 1.5944 C.3 1 UNL1 0.0341 25 C 0.4729 -1.6443 0.5426 C.3 1 UNL1 0.1137 26 C -2.7197 0.7738 0.1734 C.3 1 UNL1 0.2560 27 C 2.2787 1.1893 -0.6591 C.3 1 UNL1 0.2536 28 C 2.4415 1.5778 -2.1437 C.3 1 UNL1 0.0739 29 C 1.7744 -2.4647 0.6522 C.3 1 UNL1 0.0853 30 C 3.3323 2.8314 -2.2725 C.3 1 UNL1 -0.0277 31 C 2.8664 3.9421 -1.2967 C.3 1 UNL1 0.0735 32 C 2.6376 3.3935 0.1252 C.3 1 UNL1 0.0164 33 C 1.4461 -3.9694 0.7349 C.3 1 UNL1 0.0627 34 C 1.8754 4.3998 1.0068 C.3 1 UNL1 0.0007 35 C 2.6923 -4.8630 0.5653 C.3 1 UNL1 0.0903 36 C -3.4127 -1.4864 -0.5730 C.ar 1 UNL1 0.2079 37 C -4.7735 0.4611 -1.2365 C.ar 1 UNL1 0.7281 38 C 3.0778 -5.0084 -0.9166 C.3 1 UNL1 -0.0643 39 C -4.2133 -2.2943 -1.3437 C.ar 1 UNL1 -0.4885 40 C -5.2496 -1.6697 -2.1155 C.ar 1 UNL1 0.5115 41 H -0.3282 1.7450 0.4535 H 1 UNL1 0.1761 42 H 1.5632 0.0579 1.4067 H 1 UNL1 0.1742 43 H -1.0646 -0.2257 2.7818 H 1 UNL1 0.1512 44 H -1.9235 2.7396 2.2780 H 1 UNL1 0.1555 45 H -3.7539 0.2453 2.0717 H 1 UNL1 0.1554 46 H -0.2604 -1.9438 1.3269 H 1 UNL1 0.1499 47 H -2.5698 1.7012 -0.4452 H 1 UNL1 0.1719 48 H 3.1990 0.8080 -0.1733 H 1 UNL1 0.1265 49 H 1.4557 1.7167 -2.6440 H 1 UNL1 0.1674 50 H 2.4644 -2.2345 -0.1875 H 1 UNL1 0.1417 51 H 4.3927 2.5476 -2.0490 H 1 UNL1 0.1305 52 H 1.9632 4.4639 -1.6974 H 1 UNL1 0.1805 53 H 3.5868 3.0839 0.6131 H 1 UNL1 0.1365 54 H 0.9732 0.7962 3.3832 H 1 UNL1 0.2568 55 H -0.1112 1.8649 4.0067 H 1 UNL1 0.2772 56 H 0.6586 -4.2468 -0.0096 H 1 UNL1 0.1708 57 H -3.3680 2.0234 3.9873 H 1 UNL1 0.3425 58 H -4.6644 2.1301 0.6444 H 1 UNL1 0.3690 59 H -0.6813 -1.3125 -1.0193 H 1 UNL1 0.3452 60 H 0.8296 4.5232 0.6721 H 1 UNL1 0.1306 61 H 2.3880 5.3806 1.0235 H 1 UNL1 0.1507 62 H 2.5297 -5.8597 1.0409 H 1 UNL1 0.1565 63 H 3.4503 2.6719 -4.3331 H 1 UNL1 0.2639 64 H 3.6696 4.2138 -3.7777 H 1 UNL1 0.2632 65 H 2.6354 -0.2886 -2.7382 H 1 UNL1 0.3340 66 H 3.1980 -2.5496 2.0046 H 1 UNL1 0.3574 67 H -2.5781 -1.9000 0.0213 H 1 UNL1 0.1956 68 H 4.6727 4.6653 -0.8757 H 1 UNL1 0.3123 69 H 3.3500 -4.0401 -1.3722 H 1 UNL1 0.1316 70 H 2.2822 -5.4954 -1.5060 H 1 UNL1 0.1307 71 H 1.3155 -3.8073 2.6962 H 1 UNL1 0.3339 72 H -4.0616 -3.3640 -1.3800 H 1 UNL1 0.1893 73 H 1.3707 3.1366 2.4458 H 1 UNL1 0.3546 74 H 4.6080 -4.6469 1.0108 H 1 UNL1 0.3543 75 H 4.5849 -5.9709 -1.7819 H 1 UNL1 0.3236 76 H -5.9511 -3.3738 -3.0514 H 1 UNL1 0.3115 77 H -6.7580 -1.9237 -3.4941 H 1 UNL1 0.3266 @BOND 1 63 17 1 2 64 17 1 3 17 30 1 4 77 19 1 5 76 19 1 6 19 40 1 7 7 65 1 8 7 28 1 9 49 28 1 10 30 28 1 11 30 51 1 12 30 31 1 13 28 27 1 14 40 18 ar 15 40 39 ar 16 18 37 ar 17 75 14 1 18 52 31 1 19 70 38 1 20 72 39 1 21 69 38 1 22 39 36 ar 23 31 9 1 24 31 32 1 25 9 68 1 26 37 13 2 27 37 16 ar 28 59 6 1 29 38 14 1 30 38 35 1 31 6 25 1 32 2 27 1 33 2 21 1 34 27 48 1 35 27 3 1 36 36 16 ar 37 36 67 1 38 16 26 1 39 47 26 1 40 50 29 1 41 56 33 1 42 3 32 1 43 32 53 1 44 32 34 1 45 26 1 1 46 26 24 1 47 1 20 1 48 41 20 1 49 25 21 1 50 25 29 1 51 25 46 1 52 35 33 1 53 35 62 1 54 35 12 1 55 21 20 1 56 21 42 1 57 58 5 1 58 29 33 1 59 29 8 1 60 60 34 1 61 33 10 1 62 20 22 1 63 34 61 1 64 34 11 1 65 74 12 1 66 5 24 1 67 24 45 1 68 24 23 1 69 8 66 1 70 10 71 1 71 44 23 1 72 11 73 1 73 22 23 1 74 22 43 1 75 22 15 1 76 23 4 1 77 15 54 1 78 15 55 1 79 4 57 1