@MOLECULE (2r,3r,4s,5s,6s)-6-carboxy-n-[3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-ylidene)propyl]-3,4,5-trihydroxy-n,n-dimethyltetrahydro-2h-pyran-2-aminium 64 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.8988 -0.1911 -0.9130 O.3 1 UNL1 -0.3593 2 O 3.1128 -2.0519 1.9120 O.3 1 UNL1 -0.5826 3 O 4.1671 0.3298 3.0885 O.3 1 UNL1 -0.5507 4 O 2.8016 1.9581 1.4176 O.3 1 UNL1 -0.6638 5 O 2.3813 2.9446 -0.8305 O.co2 1 UNL1 -0.7157 6 O 2.8011 1.6394 -2.5835 O.co2 1 UNL1 -0.6843 7 N 1.7145 -1.1506 -0.8929 N.4 1 UNL1 -0.0401 8 C 3.1090 -1.0536 -0.1940 C.3 1 UNL1 0.1782 9 C 3.0136 -0.7757 1.3154 C.3 1 UNL1 0.0373 10 C 4.2008 0.1305 1.7012 C.3 1 UNL1 0.0771 11 C 0.7921 -0.0089 -0.4988 C.3 1 UNL1 -0.1701 12 C 4.0170 1.4569 0.9298 C.3 1 UNL1 0.0856 13 C 4.0097 1.1901 -0.5786 C.3 1 UNL1 -0.1266 14 C 1.0825 -2.4478 -0.4665 C.3 1 UNL1 -0.3558 15 C 1.9733 -1.2115 -2.3692 C.3 1 UNL1 -0.3593 16 C -0.1102 0.5080 -1.6273 C.3 1 UNL1 -0.2993 17 C 2.9555 2.0146 -1.4260 C.2 1 UNL1 0.6970 18 C -1.3262 1.1430 -1.0326 C.2 1 UNL1 -0.1401 19 C -2.3764 0.4356 -0.5869 C.2 1 UNL1 -0.0380 20 C -2.3895 -1.0337 -0.5914 C.ar 1 UNL1 -0.0213 21 C -3.5800 1.0830 -0.0478 C.ar 1 UNL1 -0.0365 22 C -2.2813 -1.6937 0.6403 C.ar 1 UNL1 -0.0044 23 C -4.1617 0.7514 1.1802 C.ar 1 UNL1 0.0230 24 C -3.6751 -0.3024 2.1348 C.3 1 UNL1 -0.2749 25 C -2.2684 -0.8664 1.8856 C.3 1 UNL1 -0.2762 26 C -2.4938 -1.7649 -1.7727 C.ar 1 UNL1 -0.1575 27 C -4.1630 2.0795 -0.8460 C.ar 1 UNL1 -0.1327 28 C -5.3232 1.4297 1.5827 C.ar 1 UNL1 -0.1898 29 C -2.2340 -3.0850 0.6767 C.ar 1 UNL1 -0.1822 30 C -2.4540 -3.1577 -1.7293 C.ar 1 UNL1 -0.1680 31 C -5.3115 2.7425 -0.4360 C.ar 1 UNL1 -0.1634 32 C -2.3134 -3.8147 -0.5091 C.ar 1 UNL1 -0.1558 33 C -5.8952 2.4139 0.7873 C.ar 1 UNL1 -0.1283 34 H 3.6171 -2.0466 -0.3738 H 1 UNL1 0.1787 35 H 2.0535 -0.3306 1.6612 H 1 UNL1 0.1687 36 H 5.1847 -0.3507 1.5201 H 1 UNL1 0.1585 37 H 1.4052 0.8504 -0.1176 H 1 UNL1 0.2128 38 H 0.1675 -0.3399 0.3635 H 1 UNL1 0.1639 39 H 4.8068 2.1966 1.1999 H 1 UNL1 0.1496 40 H 5.0102 1.3994 -1.0308 H 1 UNL1 0.1719 41 H 0.0373 -2.5163 -0.8273 H 1 UNL1 0.1902 42 H 1.6356 -3.3157 -0.8586 H 1 UNL1 0.1692 43 H 1.0672 -2.5382 0.6374 H 1 UNL1 0.1915 44 H 1.0722 -1.4787 -2.9362 H 1 UNL1 0.1638 45 H 2.3399 -0.2116 -2.7451 H 1 UNL1 0.2639 46 H 2.7693 -1.9327 -2.6059 H 1 UNL1 0.1648 47 H 0.4578 1.2535 -2.2469 H 1 UNL1 0.2125 48 H -0.4089 -0.2958 -2.3278 H 1 UNL1 0.1528 49 H 3.5266 -1.9682 2.8044 H 1 UNL1 0.3560 50 H 3.5227 1.0502 3.3087 H 1 UNL1 0.3513 51 H -1.3020 2.2339 -0.9789 H 1 UNL1 0.1785 52 H 2.4367 2.6437 0.7207 H 1 UNL1 0.4129 53 H -1.5402 -0.0304 1.8061 H 1 UNL1 0.1646 54 H -1.9453 -1.4594 2.7642 H 1 UNL1 0.1483 55 H -4.4061 -1.1438 2.1241 H 1 UNL1 0.1594 56 H -3.7074 0.1050 3.1703 H 1 UNL1 0.1566 57 H -3.7064 2.3309 -1.8043 H 1 UNL1 0.1599 58 H -2.6216 -1.2480 -2.7231 H 1 UNL1 0.1633 59 H -5.7860 1.1795 2.5361 H 1 UNL1 0.1508 60 H -2.1498 -3.6046 1.6290 H 1 UNL1 0.1565 61 H -5.7531 3.5129 -1.0639 H 1 UNL1 0.1529 62 H -2.5442 -3.7323 -2.6490 H 1 UNL1 0.1539 63 H -2.2819 -4.9021 -0.4778 H 1 UNL1 0.1523 64 H -6.7963 2.9273 1.1172 H 1 UNL1 0.1487 @BOND 1 44 15 1 2 45 15 1 3 58 26 1 4 62 30 1 5 46 15 1 6 6 17 ar 7 15 7 1 8 48 16 1 9 47 16 1 10 57 27 1 11 26 30 ar 12 26 20 ar 13 30 32 ar 14 16 18 1 15 16 11 1 16 17 5 ar 17 17 13 1 18 61 31 1 19 18 51 1 20 18 19 2 21 40 13 1 22 1 13 1 23 1 8 1 24 7 11 1 25 7 14 1 26 7 8 1 27 42 14 1 28 27 31 ar 29 27 21 ar 30 41 14 1 31 20 19 1 32 20 22 ar 33 19 21 1 34 13 12 1 35 32 63 1 36 32 29 ar 37 11 37 1 38 11 38 1 39 14 43 1 40 31 33 ar 41 34 8 1 42 8 9 1 43 21 23 ar 44 22 29 ar 45 22 25 1 46 29 60 1 47 52 4 1 48 33 64 1 49 33 28 ar 50 12 39 1 51 12 4 1 52 12 10 1 53 23 28 ar 54 23 24 1 55 9 35 1 56 9 10 1 57 9 2 1 58 36 10 1 59 28 59 1 60 10 3 1 61 53 25 1 62 25 24 1 63 25 54 1 64 2 49 1 65 55 24 1 66 24 56 1 67 3 50 1