@MOLECULE 6-hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl 2-o-(2-acetamido-2,6-dideoxy-3-o-methyl-alpha-d-galactopyranosyl)-6-deoxy-3-c-methyl-beta-d-galactopyranoside 87 93 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.9658 -0.2739 -1.0443 O.3 1 UNL1 -0.4266 2 O -0.3337 -1.2854 -2.1379 O.3 1 UNL1 -0.4524 3 O 2.5703 0.0332 1.1771 O.3 1 UNL1 -0.4647 4 O 3.0743 -3.1126 -0.6525 O.3 1 UNL1 -0.5556 5 O 0.2849 0.6088 -1.0880 O.3 1 UNL1 -0.3505 6 O 0.4989 -3.7401 -0.6899 O.3 1 UNL1 -0.5679 7 O 4.1621 3.0588 1.0991 O.3 1 UNL1 -0.4190 8 O 4.0214 2.2407 3.6664 O.3 1 UNL1 -0.5384 9 O 7.2936 0.5671 0.3740 O.2 1 UNL1 -0.5761 10 O -1.5437 -0.5298 0.1333 O.2 1 UNL1 -0.2700 11 O -6.3450 0.4579 1.2697 O.2 1 UNL1 -0.3673 12 O -5.0368 3.4553 -1.3103 O.3 1 UNL1 -0.3996 13 O -6.8474 2.3048 0.2597 O.2 1 UNL1 -0.3781 14 O -1.1022 -2.4405 1.0510 O.2 1 UNL1 -0.4768 15 N 5.2506 -0.3820 0.3207 N.am 1 UNL1 -0.5968 16 C 2.2859 -2.4561 -1.6202 C.3 1 UNL1 0.2483 17 C 1.8283 -1.1066 -1.0198 C.3 1 UNL1 0.0059 18 C 1.0190 -3.3106 -1.9161 C.3 1 UNL1 0.0310 19 C 0.7720 -0.4350 -1.9183 C.3 1 UNL1 0.2759 20 C 3.0591 0.6605 0.0106 C.3 1 UNL1 0.3083 21 C 4.5827 0.9102 0.1642 C.3 1 UNL1 -0.0109 22 C -0.0117 -2.5264 -2.7525 C.3 1 UNL1 0.0980 23 C 4.7773 1.8164 1.4073 C.3 1 UNL1 0.0259 24 C 4.0246 1.2786 2.6433 C.3 1 UNL1 0.0704 25 C 2.5696 0.8465 2.3337 C.3 1 UNL1 0.1284 26 C 3.1891 -2.2980 -2.8345 C.3 1 UNL1 -0.4701 27 C -1.3530 -3.2468 -2.8125 C.3 1 UNL1 -0.4567 28 C 1.5894 2.0026 2.2065 C.3 1 UNL1 -0.4978 29 C -0.6215 1.4512 -1.6595 C.ar 1 UNL1 0.2604 30 C 6.6237 -0.4498 0.3677 C.2 1 UNL1 0.6111 31 C -1.9373 1.4434 -1.1247 C.ar 1 UNL1 -0.0438 32 C 5.0642 4.0499 0.6415 C.3 1 UNL1 -0.1888 33 C -0.2241 2.3649 -2.6141 C.ar 1 UNL1 -0.2321 34 C -2.8283 2.4560 -1.5448 C.ar 1 UNL1 -0.0707 35 C -2.4161 0.4512 -0.2162 C.ar 1 UNL1 0.1962 36 C -3.7112 0.4801 0.2491 C.ar 1 UNL1 -0.0745 37 C 7.2185 -1.8273 0.4418 C.3 1 UNL1 -0.5211 38 C -4.6090 1.5169 -0.1205 C.ar 1 UNL1 -0.2351 39 C -4.1594 2.4869 -0.9944 C.ar 1 UNL1 0.3077 40 C -1.1386 3.3440 -3.0442 C.ar 1 UNL1 -0.0906 41 C -2.4075 3.3988 -2.5113 C.ar 1 UNL1 -0.1868 42 C -4.1715 -0.5717 1.1057 C.ar 1 UNL1 -0.0444 43 C -3.3210 -1.6325 1.4442 C.ar 1 UNL1 -0.1743 44 C -5.4849 -0.5439 1.5767 C.ar 1 UNL1 0.2120 45 C -5.9637 1.5143 0.4265 C.ar 1 UNL1 0.6105 46 C -1.9633 -1.6062 0.9045 C.ar 1 UNL1 0.6043 47 C -3.7971 -2.6698 2.2547 C.ar 1 UNL1 0.0993 48 C -5.9711 -1.5683 2.3942 C.ar 1 UNL1 -0.1550 49 C -5.1203 -2.6164 2.7224 C.ar 1 UNL1 -0.1681 50 C -2.9336 -3.8212 2.6187 C.3 1 UNL1 -0.4611 51 H 1.4239 -1.2584 0.0122 H 1 UNL1 0.1946 52 H 1.2977 -4.2662 -2.4168 H 1 UNL1 0.1599 53 H 1.1490 -0.0390 -2.8797 H 1 UNL1 0.1218 54 H 2.4656 1.5613 -0.2396 H 1 UNL1 0.1419 55 H 4.9800 1.4419 -0.7401 H 1 UNL1 0.1606 56 H 0.3868 -2.3150 -3.7701 H 1 UNL1 0.1203 57 H 5.8597 1.9434 1.6396 H 1 UNL1 0.1710 58 H 4.5950 0.4281 3.0879 H 1 UNL1 0.1584 59 H 2.2165 0.1092 3.0962 H 1 UNL1 0.1519 60 H 4.0714 -1.6896 -2.5744 H 1 UNL1 0.1817 61 H 3.5700 -3.2706 -3.1702 H 1 UNL1 0.1612 62 H 2.6860 -1.8080 -3.6705 H 1 UNL1 0.1452 63 H -1.3229 -4.0929 -3.5055 H 1 UNL1 0.1517 64 H -2.1494 -2.5627 -3.1365 H 1 UNL1 0.1636 65 H -1.6467 -3.6353 -1.8257 H 1 UNL1 0.1729 66 H 2.4848 -3.5383 0.0182 H 1 UNL1 0.3427 67 H 4.6553 -1.2015 0.2059 H 1 UNL1 0.3498 68 H -0.0197 -3.0360 -0.2295 H 1 UNL1 0.3607 69 H 1.9825 2.8275 1.6022 H 1 UNL1 0.1620 70 H 1.3291 2.4087 3.1901 H 1 UNL1 0.1589 71 H 0.6598 1.6655 1.7274 H 1 UNL1 0.1689 72 H 3.7521 3.1138 3.3004 H 1 UNL1 0.3288 73 H 5.6339 3.7020 -0.2257 H 1 UNL1 0.1316 74 H 5.7399 4.3512 1.4495 H 1 UNL1 0.1307 75 H 4.4015 4.8768 0.3594 H 1 UNL1 0.1412 76 H 0.7866 2.3439 -3.0172 H 1 UNL1 0.1755 77 H 6.4993 -2.6104 0.7118 H 1 UNL1 0.1713 78 H 8.0323 -1.8456 1.1841 H 1 UNL1 0.1840 79 H 7.6632 -2.1000 -0.5263 H 1 UNL1 0.1765 80 H -0.8243 4.0638 -3.8006 H 1 UNL1 0.1553 81 H -3.0978 4.1715 -2.8473 H 1 UNL1 0.1472 82 H -6.9984 -1.5340 2.7555 H 1 UNL1 0.1781 83 H -5.4904 -3.4211 3.3587 H 1 UNL1 0.1628 84 H -4.6491 4.1551 -1.9030 H 1 UNL1 0.3259 85 H -3.4029 -4.5113 3.3299 H 1 UNL1 0.1542 86 H -1.9780 -3.4921 3.0657 H 1 UNL1 0.1852 87 H -2.6518 -4.4109 1.7283 H 1 UNL1 0.1802 @BOND 1 80 40 1 2 56 22 1 3 62 26 1 4 63 27 1 5 61 26 1 6 64 27 1 7 40 33 ar 8 40 41 ar 9 76 33 1 10 53 19 1 11 81 41 1 12 26 60 1 13 26 16 1 14 27 22 1 15 27 65 1 16 22 2 1 17 22 18 1 18 33 29 ar 19 41 34 ar 20 52 18 1 21 2 19 1 22 19 5 1 23 19 17 1 24 18 16 1 25 18 6 1 26 84 12 1 27 29 31 ar 28 29 5 1 29 16 17 1 30 16 4 1 31 34 31 ar 32 34 39 ar 33 12 39 1 34 31 35 ar 35 1 17 1 36 1 20 1 37 17 51 1 38 39 38 ar 39 55 21 1 40 6 68 1 41 4 66 1 42 79 37 1 43 54 20 1 44 73 32 1 45 35 10 ar 46 35 36 ar 47 38 36 ar 48 38 45 ar 49 20 21 1 50 20 3 1 51 10 46 ar 52 21 15 1 53 21 23 1 54 67 15 1 55 36 42 ar 56 13 45 2 57 15 30 am 58 75 32 1 59 30 9 2 60 30 37 1 61 45 11 ar 62 37 77 1 63 37 78 1 64 32 7 1 65 32 74 1 66 46 14 2 67 46 43 ar 68 7 23 1 69 42 43 ar 70 42 44 ar 71 3 25 1 72 11 44 ar 73 23 57 1 74 23 24 1 75 43 47 ar 76 44 48 ar 77 69 28 1 78 71 28 1 79 87 50 1 80 28 25 1 81 28 70 1 82 47 50 1 83 47 49 ar 84 25 24 1 85 25 59 1 86 48 49 ar 87 48 82 1 88 50 86 1 89 50 85 1 90 24 58 1 91 24 8 1 92 49 83 1 93 72 8 1