@MOLECULE methyl 3-hydroxy-6-(2-hydroxy-6-methoxy-4-methylbenzoyl)-2,5-dimethoxybenzoate 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6082 -3.1670 0.0043 O.3 1 UNL1111111111 -0.3057 2 O -2.8170 2.1776 0.3147 O.3 1 UNL1111111111 -0.2950 3 O 0.5782 -0.9937 1.6083 O.3 1 UNL1111111111 -0.2983 4 O 0.4680 -1.7497 -2.1564 O.2 1 UNL1111111111 -0.4151 5 O 2.6738 -0.3742 -2.4779 O.3 1 UNL1111111111 -0.4017 6 O -4.6732 0.2351 0.8973 O.3 1 UNL1111111111 -0.4418 7 O 0.3024 2.0289 0.3203 O.3 1 UNL1111111111 -0.3809 8 O -0.2486 2.0901 -1.8642 O.2 1 UNL1111111111 -0.4698 9 C -0.9015 -0.8404 -0.4853 C.ar 1 UNL1111111111 -0.2635 10 C 1.6125 -0.6458 -0.4222 C.ar 1 UNL1111111111 -0.3972 11 C -1.2944 0.5003 -0.3733 C.ar 1 UNL1111111111 -0.0336 12 C 0.4153 -1.1437 -1.1140 C.2 1 UNL1111111111 0.5286 13 C -1.7905 -1.8309 -0.0570 C.ar 1 UNL1111111111 0.3390 14 C -2.5476 0.8533 0.1075 C.ar 1 UNL1111111111 0.0643 15 C 1.6744 -0.5166 0.9805 C.ar 1 UNL1111111111 0.3824 16 C 2.7491 -0.2471 -1.1407 C.ar 1 UNL1111111111 0.4119 17 C 3.8986 0.4047 0.8701 C.ar 1 UNL1111111111 0.2286 18 C -3.0805 -1.4994 0.4138 C.ar 1 UNL1111111111 -0.3883 19 C -3.4506 -0.1679 0.4794 C.ar 1 UNL1111111111 0.2795 20 C 2.7952 0.0045 1.6288 C.ar 1 UNL1111111111 -0.4312 21 C 3.8875 0.2815 -0.5177 C.ar 1 UNL1111111111 -0.4524 22 C -0.3846 1.6059 -0.7731 C.2 1 UNL1111111111 0.6053 23 C 5.0906 0.9692 1.5649 C.3 1 UNL1111111111 -0.4745 24 C -0.3293 -3.7242 -0.2639 C.3 1 UNL1111111111 -0.2042 25 C -3.8203 2.6847 -0.5666 C.3 1 UNL1111111111 -0.2064 26 C 0.3952 -0.6372 2.9750 C.3 1 UNL1111111111 -0.1990 27 C 1.2264 3.0893 0.0977 C.3 1 UNL1111111111 -0.1789 28 H -3.7515 -2.2972 0.7171 H 1 UNL1111111111 0.1825 29 H 2.8194 0.1032 2.7061 H 1 UNL1111111111 0.1717 30 H 4.7433 0.5828 -1.1069 H 1 UNL1111111111 0.1690 31 H 4.8291 1.8774 2.1290 H 1 UNL1111111111 0.1664 32 H 5.5076 0.2520 2.2883 H 1 UNL1111111111 0.1663 33 H 5.9022 1.2390 0.8760 H 1 UNL1111111111 0.1602 34 H 3.4832 -0.0270 -2.9363 H 1 UNL1111111111 0.3207 35 H -5.2517 -0.5346 1.1334 H 1 UNL1111111111 0.3253 36 H -0.4393 -4.7425 0.1312 H 1 UNL1111111111 0.1441 37 H -0.1556 -3.7511 -1.3481 H 1 UNL1111111111 0.1648 38 H 0.4692 -3.1957 0.2667 H 1 UNL1111111111 0.1446 39 H -3.8470 3.7483 -0.3033 H 1 UNL1111111111 0.1436 40 H -4.7864 2.2117 -0.3655 H 1 UNL1111111111 0.1409 41 H -3.5207 2.5517 -1.6109 H 1 UNL1111111111 0.1389 42 H -0.6031 -1.0480 3.1838 H 1 UNL1111111111 0.1586 43 H 0.3893 0.4520 3.0942 H 1 UNL1111111111 0.1470 44 H 1.1512 -1.1111 3.6054 H 1 UNL1111111111 0.1300 45 H 1.5550 3.3446 1.1109 H 1 UNL1111111111 0.1414 46 H 0.7327 3.9386 -0.3862 H 1 UNL1111111111 0.1432 47 H 2.0611 2.7278 -0.5125 H 1 UNL1111111111 0.1389 @BOND 1 1 13 1 2 1 24 1 3 2 14 1 4 2 25 1 5 3 15 1 6 3 26 1 7 4 12 2 8 5 16 1 9 5 34 1 10 6 19 1 11 6 35 1 12 7 22 1 13 7 27 1 14 8 22 2 15 9 11 ar 16 9 12 1 17 9 13 ar 18 10 12 1 19 10 15 ar 20 10 16 ar 21 11 14 ar 22 11 22 1 23 13 18 ar 24 14 19 ar 25 15 20 ar 26 16 21 ar 27 17 20 ar 28 17 21 ar 29 17 23 1 30 18 19 ar 31 18 28 1 32 20 29 1 33 21 30 1 34 23 31 1 35 23 32 1 36 23 33 1 37 24 36 1 38 24 37 1 39 24 38 1 40 25 39 1 41 25 40 1 42 25 41 1 43 26 42 1 44 26 43 1 45 26 44 1 46 27 45 1 47 27 46 1 48 27 47 1