@MOLECULE (2s,3s,4s,6r)-6-{8-[(2r,4r,5s,6r)-4-(dimethylammonio)-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]-2-[(2s,2'r,3r,3's)-3,3'-dimethyl-2,2'-bioxir-3-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-7,12-dihydro-4h-naphtho[2,3-h]chromen-10-yl}-3-hydroxy-n,n,2,4-tetramethyltetrahydro-2h-pyran-4-aminium 54 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.9922 2.8082 2.2401 O.2 1 UNL1 -0.1403 2 O -7.1428 5.0698 -0.0526 O.2 1 UNL1 -0.0903 3 O -3.3538 0.5571 0.9847 O.3 1 UNL1 -0.3209 4 O 4.1792 1.8476 1.9482 O.2 1 UNL1 -0.1609 5 O 6.7104 4.3514 2.4421 O.2 1 UNL1 -0.4980 6 O 3.3890 -2.6672 -1.0491 O.2 1 UNL1 -0.1460 7 O 3.6538 -4.9526 1.7762 O.2 1 UNL1 -0.3950 8 O 1.1093 2.7817 -1.7508 O.2 1 UNL1 -0.1307 9 O -5.8073 -3.1218 1.1043 O.2 1 UNL1 -0.4211 10 O -2.1990 1.7749 -1.0569 O.2 1 UNL1 -0.4420 11 O -0.1602 -2.3218 -2.9192 O.2 1 UNL1 -0.3173 12 N 5.7453 2.9716 -2.4510 N.1 1 UNL1 -0.6417 13 N 1.1241 -5.7318 0.4215 N.3 1 UNL1 -0.3657 14 C -6.1094 2.9688 0.8787 C.2 1 UNL1 -0.0017 15 C -5.5088 1.7518 1.3639 C.3 1 UNL1 -0.0854 16 C -6.5483 3.8313 0.0097 C.2 1 UNL1 0.1634 17 C -6.8467 4.3613 -1.2611 C.2 1 UNL1 -0.4781 18 C 5.9630 3.4869 0.3946 C.2 1 UNL1 -0.6304 19 C -3.9687 1.5415 1.4344 C.3 1 UNL1 0.5003 20 C -6.0715 0.4601 1.3832 C.2 1 UNL1 0.0409 21 C -6.9392 4.4615 -2.5624 C.2 1 UNL1 0.4703 22 C 5.0265 2.5541 -0.2084 C.2 1 UNL1 -0.3041 23 C 5.9547 3.6108 1.8463 C.2 1 UNL1 0.5653 24 C 4.2208 1.8008 0.5921 C.3 1 UNL1 0.3398 25 C 4.9753 2.7991 2.5743 C.2 1 UNL1 -0.4955 26 C 6.8103 4.2112 -0.3412 C.2 1 UNL1 0.5516 27 C -6.0076 -0.7511 1.2947 C.1 1 UNL1 -0.2058 28 C 3.3197 0.8251 0.1273 C.1 1 UNL1 -0.1500 29 C 1.7659 -4.5124 0.3316 C.3 1 UNL1 0.0589 30 C 2.0782 -2.3455 -0.7088 C.3 1 UNL1 0.2110 31 C 1.3992 -3.4065 -0.2824 C.3 1 UNL1 -0.1666 32 C 1.6777 -0.9617 -0.8579 C.2 1 UNL1 -0.0426 33 C 3.2025 -4.3663 0.8325 C.2 1 UNL1 0.4714 34 C 6.4430 3.4109 -3.3245 C.1 1 UNL1 0.3872 35 C 4.8646 2.3424 -1.6352 C.2 1 UNL1 0.3168 36 C -3.3560 -0.5912 0.2075 C.ar 1 UNL1 0.1599 37 C 3.9730 -3.4433 -0.0254 C.2 1 UNL1 -0.5217 38 C 4.8321 2.9452 3.9023 C.2 1 UNL1 0.5675 39 C 2.5663 -0.0079 -0.3357 C.1 1 UNL1 0.0684 40 C 0.4664 -0.6354 -1.3654 C.2 1 UNL1 0.0681 41 C -5.4023 -1.9845 0.9862 C.2 1 UNL1 0.5051 42 C -4.0776 -1.7450 0.3322 C.ar 1 UNL1 -0.1206 43 C 0.5403 1.8067 -1.5495 C.1 1 UNL1 0.6068 44 C -0.1422 0.6718 -1.3326 C.2 1 UNL1 -0.4880 45 C -2.2191 -0.5620 -0.6793 C.ar 1 UNL1 -0.0718 46 C -1.7408 -1.7206 -1.2204 C.ar 1 UNL1 -0.1636 47 C -1.5713 0.7445 -1.0136 C.2 1 UNL1 0.5232 48 C -0.4575 -1.6772 -1.9557 C.2 1 UNL1 0.4328 49 C -3.5793 -2.9392 -0.2872 C.ar 1 UNL1 -0.6242 50 C 5.2994 -3.2898 0.1227 C.2 1 UNL1 0.5906 51 C 1.2358 -7.0811 0.3840 C.3 1 UNL1 0.0916 52 C -0.0716 -6.3399 0.6356 C.3 1 UNL1 0.1228 53 C -2.3964 -2.9865 -1.0592 C.ar 1 UNL1 0.0538 54 C -4.1337 -4.1816 -0.1461 C.3 1 UNL1 0.7528 @BOND 1 34 12 3 2 11 48 2 3 21 17 2 4 12 35 1 5 48 40 1 6 48 46 1 7 8 43 2 8 35 22 2 9 43 44 2 10 40 44 1 11 40 32 2 12 44 47 1 13 17 2 1 14 17 16 1 15 46 53 ar 16 46 45 ar 17 53 49 ar 18 10 47 2 19 6 30 1 20 6 37 1 21 47 45 1 22 32 30 1 23 32 39 1 24 30 31 1 25 45 36 ar 26 26 18 2 27 39 28 3 28 49 54 1 29 49 42 ar 30 31 29 1 31 22 18 1 32 22 24 1 33 2 16 1 34 37 50 2 35 37 33 1 36 16 14 2 37 28 24 1 38 36 42 ar 39 36 3 1 40 29 13 1 41 29 33 1 42 42 41 1 43 51 13 1 44 51 52 1 45 18 23 1 46 13 52 1 47 24 4 1 48 33 7 2 49 14 15 1 50 14 1 1 51 3 19 1 52 41 9 1 53 41 27 2 54 27 20 2 55 15 20 1 56 15 19 1 57 15 1 1 58 23 5 2 59 23 25 1 60 4 25 1 61 25 38 2