@MOLECULE 6-[(2e)-2-buten-2-yl]-4-({6-[(2e)-2-buten-2-yl]-2,4-dihydroxy-3-methylbenzoyl}oxy)-2-hydroxy-3-methylbenzoic acid 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5984 0.4515 0.3972 O.3 1 UNL1111111111 -0.4100 2 O 3.1129 3.2588 -0.4071 O.3 1 UNL1111111111 -0.4499 3 O -3.1785 2.5247 -0.2924 O.3 1 UNL1111111111 -0.4571 4 O -6.6652 -0.4381 0.9342 O.3 1 UNL1111111111 -0.4566 5 O -0.9298 0.3863 -1.8301 O.2 1 UNL1111111111 -0.4457 6 O 5.4485 1.1625 -1.1575 O.3 1 UNL1111111111 -0.5580 7 O 5.7231 1.1372 1.0521 O.2 1 UNL1111111111 -0.4855 8 C -2.7726 0.1456 -0.2851 C.ar 1 UNL1111111111 -0.3652 9 C 2.9510 -0.3302 0.3963 C.ar 1 UNL1111111111 0.1335 10 C -3.2733 -1.1415 -0.0332 C.ar 1 UNL1111111111 0.1705 11 C 0.7570 0.6240 0.2221 C.ar 1 UNL1111111111 0.2929 12 C 1.2537 1.8929 -0.0659 C.ar 1 UNL1111111111 -0.1302 13 C 3.5043 0.9269 0.1111 C.ar 1 UNL1111111111 -0.3113 14 C 1.5711 -0.4883 0.4463 C.ar 1 UNL1111111111 -0.2900 15 C 2.6543 2.0131 -0.1278 C.ar 1 UNL1111111111 0.3391 16 C -3.6039 1.2557 -0.0977 C.ar 1 UNL1111111111 0.3792 17 C -4.9388 1.1254 0.3124 C.ar 1 UNL1111111111 -0.2375 18 C -4.5878 -1.3084 0.3692 C.ar 1 UNL1111111111 -0.3309 19 C -2.3728 -2.3057 -0.1629 C.2 1 UNL1111111111 -0.0602 20 C 3.8203 -1.4978 0.6420 C.2 1 UNL1111111111 -0.0447 21 C -5.4011 -0.1767 0.5340 C.ar 1 UNL1111111111 0.3532 22 C -1.3860 0.3182 -0.7257 C.2 1 UNL1111111111 0.6321 23 C 0.3602 3.0515 -0.3141 C.3 1 UNL1111111111 -0.4173 24 C -5.8083 2.3119 0.5060 C.3 1 UNL1111111111 -0.4149 25 C -1.7972 -2.7476 1.1364 C.3 1 UNL1111111111 -0.4326 26 C 4.2652 -1.6214 2.0571 C.3 1 UNL1111111111 -0.4415 27 C -2.1150 -2.8352 -1.3656 C.2 1 UNL1111111111 -0.1159 28 C 4.1279 -2.3309 -0.3600 C.2 1 UNL1111111111 -0.1294 29 C 4.9649 1.0740 0.1166 C.2 1 UNL1111111111 0.6596 30 C -1.1891 -3.9726 -1.5973 C.3 1 UNL1111111111 -0.4416 31 C 4.9872 -3.5369 -0.2282 C.3 1 UNL1111111111 -0.4422 32 H 1.1250 -1.4580 0.6551 H 1 UNL1111111111 0.1843 33 H -5.0019 -2.2959 0.5644 H 1 UNL1111111111 0.1905 34 H 0.9071 4.0096 -0.3041 H 1 UNL1111111111 0.1750 35 H -0.1149 2.9762 -1.3059 H 1 UNL1111111111 0.1596 36 H -0.4228 3.1320 0.4577 H 1 UNL1111111111 0.1540 37 H -5.2702 3.2555 0.3031 H 1 UNL1111111111 0.1800 38 H -6.6721 2.3049 -0.1742 H 1 UNL1111111111 0.1491 39 H -6.1733 2.3895 1.5407 H 1 UNL1111111111 0.1485 40 H -1.2303 -3.6811 1.0532 H 1 UNL1111111111 0.1519 41 H -2.5806 -2.9057 1.8928 H 1 UNL1111111111 0.1583 42 H -1.1133 -1.9800 1.5392 H 1 UNL1111111111 0.1688 43 H 4.9714 -2.4455 2.2155 H 1 UNL1111111111 0.1518 44 H 3.4181 -1.7894 2.7328 H 1 UNL1111111111 0.1583 45 H 4.7757 -0.7021 2.3959 H 1 UNL1111111111 0.1781 46 H -2.5733 -2.4220 -2.2664 H 1 UNL1111111111 0.1556 47 H 3.7553 -2.1462 -1.3705 H 1 UNL1111111111 0.1545 48 H 4.0761 3.2544 -0.6442 H 1 UNL1111111111 0.3378 49 H -2.2245 2.5741 -0.5622 H 1 UNL1111111111 0.3376 50 H -1.2773 -4.7532 -0.8274 H 1 UNL1111111111 0.1528 51 H -1.3672 -4.4573 -2.5668 H 1 UNL1111111111 0.1497 52 H -0.1432 -3.6284 -1.5949 H 1 UNL1111111111 0.1645 53 H 4.9175 -4.0038 0.7635 H 1 UNL1111111111 0.1534 54 H 4.7257 -4.3084 -0.9649 H 1 UNL1111111111 0.1500 55 H 6.0455 -3.2795 -0.3908 H 1 UNL1111111111 0.1591 56 H -7.2091 0.3841 1.0411 H 1 UNL1111111111 0.3341 57 H 6.4324 1.1757 -1.1995 H 1 UNL1111111111 0.3509 @BOND 1 1 11 1 2 1 22 1 3 2 15 1 4 2 48 1 5 3 16 1 6 3 49 1 7 4 21 1 8 4 56 1 9 5 22 2 10 6 29 1 11 6 57 1 12 7 29 2 13 8 10 ar 14 8 16 ar 15 8 22 1 16 9 13 ar 17 9 14 ar 18 9 20 1 19 10 18 ar 20 10 19 1 21 11 12 ar 22 11 14 ar 23 12 15 ar 24 12 23 1 25 13 15 ar 26 13 29 1 27 14 32 1 28 16 17 ar 29 17 21 ar 30 17 24 1 31 18 21 ar 32 18 33 1 33 19 25 1 34 19 27 2 35 20 26 1 36 20 28 2 37 23 34 1 38 23 35 1 39 23 36 1 40 24 37 1 41 24 38 1 42 24 39 1 43 25 40 1 44 25 41 1 45 25 42 1 46 26 43 1 47 26 44 1 48 26 45 1 49 27 30 1 50 27 46 1 51 28 31 1 52 28 47 1 53 30 50 1 54 30 51 1 55 30 52 1 56 31 53 1 57 31 54 1 58 31 55 1