@MOLECULE eriodictyol-7-rutinoside 74 78 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.1387 0.2778 0.7553 O.3 1 UNL1 -0.3911 2 O -0.7527 -0.5772 -0.5269 O.3 1 UNL1 -0.4002 3 O -1.3881 -2.6521 0.1775 O.3 1 UNL1 -0.4797 4 O -5.6005 -0.7346 -0.4642 O.3 1 UNL1 -0.5686 5 O -2.3541 2.3353 0.0220 O.3 1 UNL1 -0.4390 6 O -3.8065 1.6485 -2.4349 O.3 1 UNL1 -0.5396 7 O -5.7897 1.7355 0.6102 O.3 1 UNL1 -0.5320 8 O 1.8328 -1.0390 0.2632 O.3 1 UNL1 -0.5658 9 O 1.9634 -3.7381 0.2033 O.3 1 UNL1 -0.5686 10 O -0.4850 -3.6895 2.8056 O.3 1 UNL1 -0.5494 11 O 2.0788 3.4553 -0.5967 O.3 1 UNL1 -0.3389 12 O 0.9382 0.8155 3.1862 O.3 1 UNL1 -0.4215 13 O 3.4454 1.3237 2.5597 O.2 1 UNL1 -0.4476 14 O 1.5249 -0.9147 -2.7319 O.3 1 UNL1 -0.5115 15 O 3.8296 -2.3364 -2.2462 O.3 1 UNL1 -0.4591 16 C -3.1809 -0.5452 -0.3898 C.3 1 UNL1 0.0216 17 C -4.4603 -0.3160 -1.2035 C.3 1 UNL1 0.0400 18 C -4.7278 1.1824 -1.4865 C.3 1 UNL1 0.0775 19 C -4.6629 1.9953 -0.1836 C.3 1 UNL1 0.0344 20 C 0.7414 -1.7297 0.8270 C.3 1 UNL1 0.0404 21 C -0.2986 -1.8910 -0.3022 C.3 1 UNL1 0.2979 22 C 1.2528 -3.1160 1.2514 C.3 1 UNL1 0.0734 23 C 0.0807 -4.0687 1.5645 C.3 1 UNL1 0.0617 24 C -3.4218 1.6281 0.6615 C.3 1 UNL1 0.2696 25 C -1.9335 -0.4217 -1.2767 C.3 1 UNL1 -0.0649 26 C -1.0893 -3.9775 0.5625 C.3 1 UNL1 0.1515 27 C -0.8254 -4.8459 -0.6630 C.3 1 UNL1 -0.5051 28 C -1.1093 2.2459 0.5433 C.ar 1 UNL1 0.4512 29 C -0.1417 2.9158 -0.2203 C.ar 1 UNL1 -0.4478 30 C 1.1830 2.8286 0.2025 C.ar 1 UNL1 0.4096 31 C -0.7923 1.5585 1.7161 C.ar 1 UNL1 -0.4977 32 C 3.4420 3.0109 -0.4909 C.3 1 UNL1 0.1375 33 C 1.5710 2.1287 1.3630 C.ar 1 UNL1 -0.4583 34 C 3.8571 3.0526 0.9793 C.3 1 UNL1 -0.4395 35 C 0.5502 1.5042 2.0963 C.ar 1 UNL1 0.4340 36 C 2.9790 2.0759 1.7424 C.2 1 UNL1 0.5284 37 C 3.5824 1.6300 -1.0777 C.ar 1 UNL1 -0.0940 38 C 2.4944 1.0552 -1.7398 C.ar 1 UNL1 -0.1984 39 C 4.7614 0.9044 -0.9090 C.ar 1 UNL1 -0.1420 40 C 2.5686 -0.2742 -2.1249 C.ar 1 UNL1 0.1687 41 C 4.8519 -0.4226 -1.3312 C.ar 1 UNL1 -0.2002 42 C 3.7400 -1.0229 -1.9151 C.ar 1 UNL1 0.2106 43 H -5.3678 -1.4430 0.1728 H 1 UNL1 0.3342 44 H -2.9824 1.9708 -1.9950 H 1 UNL1 0.3343 45 H -6.0147 0.7701 0.5532 H 1 UNL1 0.3481 46 H 2.1568 -0.3384 0.8795 H 1 UNL1 0.3518 47 H 2.5331 -3.0740 -0.2603 H 1 UNL1 0.3549 48 H 0.1238 -3.8910 3.5431 H 1 UNL1 0.3153 49 H 0.1701 0.3855 3.6509 H 1 UNL1 0.3295 50 H 0.6741 -0.6270 -2.3001 H 1 UNL1 0.3520 51 H 3.0045 -2.6285 -2.7203 H 1 UNL1 0.3411 52 H -3.1914 -1.5508 0.1157 H 1 UNL1 0.1852 53 H -4.4608 -0.9016 -2.1502 H 1 UNL1 0.1528 54 H -5.7179 1.3099 -1.9892 H 1 UNL1 0.1752 55 H -4.7035 3.0932 -0.3769 H 1 UNL1 0.1753 56 H 0.3002 -1.1724 1.6814 H 1 UNL1 0.1575 57 H 0.0907 -2.3343 -1.2405 H 1 UNL1 0.1287 58 H 1.9478 -3.0281 2.1174 H 1 UNL1 0.1388 59 H 0.4496 -5.1181 1.6316 H 1 UNL1 0.1424 60 H -3.5115 1.9408 1.7282 H 1 UNL1 0.1628 61 H -1.9758 -1.1402 -2.1147 H 1 UNL1 0.1327 62 H -1.8007 0.6067 -1.6746 H 1 UNL1 0.1578 63 H -2.0466 -4.2517 1.0752 H 1 UNL1 0.1573 64 H 0.2027 -4.7248 -1.0374 H 1 UNL1 0.1781 65 H -1.5079 -4.5868 -1.4810 H 1 UNL1 0.1601 66 H -0.9643 -5.9090 -0.4398 H 1 UNL1 0.1546 67 H -0.4110 3.4638 -1.1155 H 1 UNL1 0.1967 68 H -1.5448 1.0254 2.2855 H 1 UNL1 0.1952 69 H 3.9581 3.7830 -1.1095 H 1 UNL1 0.1615 70 H 3.7275 4.0700 1.3995 H 1 UNL1 0.1821 71 H 4.9272 2.8058 1.1141 H 1 UNL1 0.1834 72 H 1.5860 1.6228 -1.9432 H 1 UNL1 0.1813 73 H 5.6228 1.3609 -0.4236 H 1 UNL1 0.1565 74 H 5.7639 -0.9980 -1.1883 H 1 UNL1 0.1751 @BOND 1 14 50 1 2 14 40 1 3 51 15 1 4 6 44 1 5 6 18 1 6 15 42 1 7 53 17 1 8 40 42 ar 9 40 38 ar 10 61 25 1 11 54 18 1 12 72 38 1 13 42 41 ar 14 38 37 ar 15 62 25 1 16 18 17 1 17 18 19 1 18 65 27 1 19 41 74 1 20 41 39 ar 21 25 2 1 22 25 16 1 23 57 21 1 24 17 4 1 25 17 16 1 26 67 29 1 27 69 32 1 28 37 39 ar 29 37 32 1 30 64 27 1 31 39 73 1 32 27 66 1 33 27 26 1 34 11 32 1 35 11 30 1 36 2 21 1 37 32 34 1 38 4 43 1 39 16 52 1 40 16 1 1 41 55 19 1 42 21 3 1 43 21 20 1 44 47 9 1 45 29 30 ar 46 29 28 ar 47 19 7 1 48 19 24 1 49 5 28 1 50 5 24 1 51 3 26 1 52 30 33 ar 53 9 22 1 54 8 20 1 55 8 46 1 56 28 31 ar 57 45 7 1 58 26 63 1 59 26 23 1 60 24 1 1 61 24 60 1 62 20 22 1 63 20 56 1 64 34 71 1 65 34 70 1 66 34 36 1 67 22 23 1 68 22 58 1 69 33 36 1 70 33 35 ar 71 23 59 1 72 23 10 1 73 31 35 ar 74 31 68 1 75 36 13 2 76 35 12 1 77 10 48 1 78 12 49 1