@MOLECULE (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(3z)-3-(10-hydroxy-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-ylidene)propyl](dimethyl)ammonio}tetrahydro-2h-pyran-2-carboxylate 65 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.9985 0.6377 -0.7763 O.3 1 UNL1 -0.3867 2 O -2.4102 -2.5731 -0.4495 O.3 1 UNL1 -0.5944 3 O -4.7629 -2.9824 1.1283 O.3 1 UNL1 -0.5803 4 O -6.9124 -1.1762 0.4522 O.3 1 UNL1 -0.5887 5 O -5.2419 2.6112 0.1798 O.co2 1 UNL1 -0.6677 6 O -7.1957 1.4792 0.2703 O.co2 1 UNL1 -0.7091 7 O 3.8342 1.0943 -2.2938 O.3 1 UNL1 -0.5554 8 N -1.7728 0.4383 -0.6122 N.4 1 UNL1 -0.0133 9 C -3.0648 -0.3820 -0.9014 C.3 1 UNL1 0.1720 10 C -3.2421 -1.5601 0.0778 C.3 1 UNL1 0.0441 11 C -4.7167 -2.0048 0.1106 C.3 1 UNL1 0.0709 12 C -0.5830 -0.4939 -0.6522 C.3 1 UNL1 -0.1668 13 C -5.5656 -0.7769 0.4782 C.3 1 UNL1 0.0712 14 C -5.3491 0.3101 -0.5682 C.3 1 UNL1 -0.1414 15 C -1.6773 1.4940 -1.6813 C.3 1 UNL1 -0.3338 16 C -1.8935 1.1278 0.7172 C.3 1 UNL1 -0.3437 17 C 0.7539 0.2465 -0.6705 C.3 1 UNL1 -0.3002 18 C -5.9999 1.6689 0.0293 C.2 1 UNL1 0.7351 19 C 1.8833 -0.7152 -0.4988 C.2 1 UNL1 -0.1883 20 C 3.0416 -0.3564 0.0750 C.2 1 UNL1 -0.0158 21 C 3.2694 0.9739 0.6514 C.ar 1 UNL1 -0.0174 22 C 4.1992 -1.2535 0.1530 C.ar 1 UNL1 -0.0616 23 C 4.0996 1.8680 -0.0266 C.ar 1 UNL1 -0.0660 24 C 4.7718 1.4563 -1.3091 C.3 1 UNL1 0.1616 25 C 5.4496 -0.9166 -0.3734 C.ar 1 UNL1 0.0332 26 C 5.8172 0.3493 -1.0917 C.3 1 UNL1 -0.3512 27 C 2.6824 1.3298 1.8663 C.ar 1 UNL1 -0.1650 28 C 4.0128 -2.4792 0.8078 C.ar 1 UNL1 -0.1305 29 C 4.3131 3.1403 0.5021 C.ar 1 UNL1 -0.1434 30 C 6.4992 -1.8410 -0.2362 C.ar 1 UNL1 -0.1848 31 C 2.9114 2.5971 2.3950 C.ar 1 UNL1 -0.1391 32 C 5.0616 -3.3782 0.9399 C.ar 1 UNL1 -0.1594 33 C 3.7190 3.5033 1.7090 C.ar 1 UNL1 -0.1429 34 C 6.3118 -3.0550 0.4110 C.ar 1 UNL1 -0.1203 35 H 1.7365 -1.7131 -0.9113 H 1 UNL1 0.1664 36 H -2.7087 -3.4555 -0.1203 H 1 UNL1 0.3629 37 H -5.6919 -3.0637 1.4576 H 1 UNL1 0.3595 38 H -7.4651 -0.3148 0.4301 H 1 UNL1 0.3961 39 H 3.4621 0.2029 -2.1394 H 1 UNL1 0.3227 40 H -3.0155 -0.7399 -1.9595 H 1 UNL1 0.1600 41 H -2.8890 -1.3442 1.1122 H 1 UNL1 0.1527 42 H -5.0472 -2.4872 -0.8340 H 1 UNL1 0.1539 43 H -0.6747 -1.1571 -1.5458 H 1 UNL1 0.1793 44 H -0.6303 -1.1784 0.2309 H 1 UNL1 0.1890 45 H -5.3360 -0.4280 1.5128 H 1 UNL1 0.1444 46 H -5.8067 0.0729 -1.5418 H 1 UNL1 0.1479 47 H -1.5299 1.0441 -2.6746 H 1 UNL1 0.1675 48 H -0.8554 2.2000 -1.4844 H 1 UNL1 0.1703 49 H -2.6201 2.0954 -1.7124 H 1 UNL1 0.2265 50 H -1.9179 0.4080 1.5483 H 1 UNL1 0.1685 51 H -2.8501 1.7221 0.7593 H 1 UNL1 0.2472 52 H -1.0641 1.8304 0.8857 H 1 UNL1 0.1675 53 H 0.7851 1.0341 0.1149 H 1 UNL1 0.1698 54 H 0.9068 0.7924 -1.6313 H 1 UNL1 0.1729 55 H 5.2593 2.3379 -1.8063 H 1 UNL1 0.1532 56 H 6.6806 0.8101 -0.5548 H 1 UNL1 0.1729 57 H 6.2068 0.0723 -2.1022 H 1 UNL1 0.1781 58 H 2.0650 0.6119 2.4031 H 1 UNL1 0.1580 59 H 3.0341 -2.7195 1.2223 H 1 UNL1 0.1563 60 H 4.9447 3.8539 -0.0258 H 1 UNL1 0.1571 61 H 7.4808 -1.6005 -0.6432 H 1 UNL1 0.1562 62 H 2.4633 2.8789 3.3470 H 1 UNL1 0.1568 63 H 4.9118 -4.3261 1.4524 H 1 UNL1 0.1561 64 H 3.8902 4.4978 2.1202 H 1 UNL1 0.1566 65 H 7.1407 -3.7545 0.5084 H 1 UNL1 0.1530 @BOND 1 47 15 1 2 7 39 1 3 7 24 1 4 57 26 1 5 40 9 1 6 55 24 1 7 49 15 1 8 15 48 1 9 15 8 1 10 54 17 1 11 43 12 1 12 46 14 1 13 24 26 1 14 24 23 1 15 26 56 1 16 26 25 1 17 35 19 1 18 9 1 1 19 9 8 1 20 9 10 1 21 42 11 1 22 1 14 1 23 17 12 1 24 17 19 1 25 17 53 1 26 12 8 1 27 12 44 1 28 61 30 1 29 8 16 1 30 14 18 1 31 14 13 1 32 19 20 2 33 2 36 1 34 2 10 1 35 25 30 ar 36 25 22 ar 37 30 34 ar 38 23 29 ar 39 23 21 ar 40 60 29 1 41 18 5 ar 42 18 6 ar 43 20 22 1 44 20 21 1 45 10 11 1 46 10 41 1 47 11 13 1 48 11 3 1 49 22 28 ar 50 34 65 1 51 34 32 ar 52 38 4 1 53 4 13 1 54 13 45 1 55 29 33 ar 56 21 27 ar 57 16 51 1 58 16 52 1 59 16 50 1 60 28 32 ar 61 28 59 1 62 32 63 1 63 3 37 1 64 33 64 1 65 33 31 ar 66 27 31 ar 67 27 58 1 68 31 62 1