@MOLECULE 12-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-18-hydroxy-9-methyl-BLAHe-20,21-dione 75 81 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.1552 -0.3647 -0.0291 O.3 1 UNL1 -0.4770 2 O 0.6550 -1.7199 2.1597 O.3 1 UNL1 -0.4573 3 O 4.1855 1.6385 -0.5220 O.3 1 UNL1 -0.3938 4 O 0.5420 -1.2787 -0.0436 O.3 1 UNL1 -0.3503 5 O 3.8901 0.8566 2.5570 O.3 1 UNL1 -0.5126 6 O 1.3359 0.5919 3.6540 O.3 1 UNL1 -0.5331 7 O 2.5361 -0.8249 -2.6609 O.3 1 UNL1 -0.5569 8 O 5.3230 -1.1239 -3.3688 O.3 1 UNL1 -0.5745 9 O 6.1662 1.3189 -2.6033 O.3 1 UNL1 -0.5371 10 O -1.0862 0.5393 0.2091 O.2 1 UNL1 -0.3214 11 O -5.9754 1.1990 -0.7594 O.2 1 UNL1 -0.3662 12 O -5.1892 -2.8773 -1.0548 O.3 1 UNL1 -0.3982 13 O -6.8076 -0.7757 -1.0717 O.2 1 UNL1 -0.3766 14 O -0.3071 2.4769 0.7397 O.2 1 UNL1 -0.4458 15 C 2.3053 -0.2571 1.0830 C.3 1 UNL1 0.0203 16 C 3.1517 -0.3140 2.3713 C.3 1 UNL1 0.0598 17 C 2.1928 -0.5186 3.5698 C.3 1 UNL1 0.0305 18 C 3.1959 0.7511 -0.9111 C.3 1 UNL1 0.2735 19 C 1.4532 -1.5484 1.0089 C.3 1 UNL1 0.2716 20 C 3.5341 0.0819 -2.2631 C.3 1 UNL1 0.0404 21 C 1.3917 -1.8219 3.3756 C.3 1 UNL1 0.0942 22 C 4.8680 -0.6648 -2.1090 C.3 1 UNL1 0.0561 23 C 5.9483 0.3261 -1.6232 C.3 1 UNL1 0.0589 24 C 5.4812 1.0602 -0.3460 C.3 1 UNL1 0.1203 25 C 0.3162 -2.0000 4.4359 C.3 1 UNL1 -0.4596 26 C 6.3667 2.2567 -0.0300 C.3 1 UNL1 -0.4562 27 C -0.4531 -2.1992 -0.2009 C.ar 1 UNL1 0.2731 28 C -1.7692 -1.6733 -0.3126 C.ar 1 UNL1 -0.0518 29 C -2.0962 -0.2930 -0.1457 C.ar 1 UNL1 0.2123 30 C -2.8132 -2.5763 -0.6129 C.ar 1 UNL1 -0.0595 31 C -3.3823 0.1633 -0.3297 C.ar 1 UNL1 -0.0739 32 C -0.1825 -3.5434 -0.3573 C.ar 1 UNL1 -0.2501 33 C -4.4428 -0.7250 -0.6483 C.ar 1 UNL1 -0.2337 34 C -3.6513 1.5667 -0.2309 C.ar 1 UNL1 -0.0475 35 C -4.1524 -2.0694 -0.7705 C.ar 1 UNL1 0.3054 36 C -2.6207 2.4662 0.0751 C.ar 1 UNL1 -0.1700 37 C -2.5300 -3.9537 -0.7608 C.ar 1 UNL1 -0.1930 38 C -1.2421 -4.4251 -0.6363 C.ar 1 UNL1 -0.0771 39 C -4.9444 2.0327 -0.4753 C.ar 1 UNL1 0.2122 40 C -5.7890 -0.1910 -0.8401 C.ar 1 UNL1 0.6105 41 C -1.2999 1.9114 0.3624 C.ar 1 UNL1 0.6024 42 C -2.8878 3.8398 0.1016 C.ar 1 UNL1 0.0907 43 C -5.2276 3.4015 -0.4393 C.ar 1 UNL1 -0.1541 44 C -4.1940 4.2861 -0.1576 C.ar 1 UNL1 -0.1667 45 C -1.8105 4.8203 0.3897 C.3 1 UNL1 -0.4626 46 H 1.6697 0.6585 1.0381 H 1 UNL1 0.1755 47 H 3.9406 -1.0962 2.3104 H 1 UNL1 0.1575 48 H 2.7403 -0.4926 4.5368 H 1 UNL1 0.1658 49 H 2.2609 1.3486 -0.9022 H 1 UNL1 0.1569 50 H 2.0350 -2.4671 0.8013 H 1 UNL1 0.1252 51 H 3.5739 0.8323 -3.0863 H 1 UNL1 0.1741 52 H 2.0626 -2.7060 3.3126 H 1 UNL1 0.1222 53 H 4.7756 -1.5490 -1.4432 H 1 UNL1 0.1430 54 H 6.9168 -0.1941 -1.4534 H 1 UNL1 0.1331 55 H 5.4163 0.3516 0.5130 H 1 UNL1 0.1443 56 H 0.7370 -2.3654 5.3787 H 1 UNL1 0.1545 57 H -0.2042 -1.0524 4.6471 H 1 UNL1 0.1769 58 H -0.4500 -2.7144 4.1020 H 1 UNL1 0.1655 59 H 7.4074 1.9558 0.1216 H 1 UNL1 0.1493 60 H 6.3462 2.9838 -0.8575 H 1 UNL1 0.1784 61 H 6.0190 2.7739 0.8727 H 1 UNL1 0.1578 62 H 3.2842 1.6292 2.6651 H 1 UNL1 0.3331 63 H 0.6714 0.5738 2.9225 H 1 UNL1 0.3355 64 H 2.0223 -1.1421 -1.8837 H 1 UNL1 0.3395 65 H 4.5605 -1.4701 -3.8855 H 1 UNL1 0.3414 66 H 6.2210 0.8891 -3.4883 H 1 UNL1 0.3304 67 H 0.8318 -3.9266 -0.2779 H 1 UNL1 0.1705 68 H -3.3374 -4.6516 -0.9770 H 1 UNL1 0.1486 69 H -1.0272 -5.4873 -0.7581 H 1 UNL1 0.1571 70 H -6.2407 3.7532 -0.6341 H 1 UNL1 0.1788 71 H -4.4030 5.3565 -0.1354 H 1 UNL1 0.1641 72 H -4.9209 -3.8300 -1.1658 H 1 UNL1 0.3256 73 H -1.3390 4.6292 1.3709 H 1 UNL1 0.1848 74 H -0.9921 4.7490 -0.3483 H 1 UNL1 0.1805 75 H -2.1558 5.8613 0.3932 H 1 UNL1 0.1545 @BOND 1 65 8 1 2 66 9 1 3 8 22 1 4 51 20 1 5 7 20 1 6 7 64 1 7 9 23 1 8 20 22 1 9 20 18 1 10 22 23 1 11 22 53 1 12 23 54 1 13 23 24 1 14 72 12 1 15 13 40 2 16 12 35 1 17 68 37 1 18 18 49 1 19 18 3 1 20 18 1 1 21 60 26 1 22 40 11 ar 23 40 33 ar 24 35 33 ar 25 35 30 ar 26 37 38 ar 27 37 30 ar 28 11 39 ar 29 69 38 1 30 33 31 ar 31 38 32 ar 32 70 43 1 33 30 28 ar 34 3 24 1 35 39 43 ar 36 39 34 ar 37 43 44 ar 38 32 67 1 39 32 27 ar 40 74 45 1 41 24 26 1 42 24 55 1 43 31 34 ar 44 31 29 ar 45 28 27 ar 46 28 29 ar 47 34 36 ar 48 27 4 1 49 44 71 1 50 44 42 ar 51 29 10 ar 52 4 19 1 53 26 59 1 54 26 61 1 55 1 15 1 56 36 42 ar 57 36 41 ar 58 42 45 1 59 10 41 ar 60 41 14 2 61 45 75 1 62 45 73 1 63 50 19 1 64 19 15 1 65 19 2 1 66 46 15 1 67 15 16 1 68 2 21 1 69 47 16 1 70 16 5 1 71 16 17 1 72 5 62 1 73 63 6 1 74 52 21 1 75 21 17 1 76 21 25 1 77 17 6 1 78 17 48 1 79 58 25 1 80 25 57 1 81 25 56 1