@MOLECULE ethyl 2-((3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)benzoate 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 BR -4.2764 1.4358 2.1655 Br 1 UNL1111111111 -0.0047 2 BR -4.0288 -2.4034 -2.0290 Br 1 UNL1111111111 0.0050 3 BR 1.9475 -3.7175 1.2140 Br 1 UNL1111111111 0.0054 4 BR 5.3162 0.4274 -0.7625 Br 1 UNL1111111111 -0.0006 5 O 2.0489 2.4593 0.9844 O.3 1 UNL1111111111 -0.4181 6 O -5.1920 -0.8844 0.1800 O.3 1 UNL1111111111 -0.4241 7 O 0.1482 3.3693 1.7862 O.2 1 UNL1111111111 -0.4870 8 O 4.4604 -2.1171 0.6451 O.2 1 UNL1111111111 -0.3595 9 C 0.0615 0.7712 -0.7966 C.2 1 UNL1111111111 0.0491 10 C 0.1535 2.1250 -1.3687 C.ar 1 UNL1111111111 0.0014 11 C -1.3141 0.3446 -0.5148 C.ar 1 UNL1111111111 -0.1038 12 C 1.1468 0.0031 -0.5455 C.2 1 UNL1111111111 -0.0545 13 C 0.5230 3.2184 -0.5827 C.ar 1 UNL1111111111 -0.1204 14 C -0.1669 2.3207 -2.7139 C.ar 1 UNL1111111111 -0.1436 15 C -1.9051 -0.6678 -1.2803 C.ar 1 UNL1111111111 -0.0796 16 C -2.0290 0.9730 0.5074 C.ar 1 UNL1111111111 -0.0641 17 C 1.0255 -1.3226 0.0563 C.2 1 UNL1111111111 -0.0903 18 C 2.4987 0.4873 -0.8199 C.2 1 UNL1111111111 -0.0627 19 C 0.5742 4.4998 -1.1268 C.ar 1 UNL1111111111 -0.0995 20 C -0.1073 3.6001 -3.2617 C.ar 1 UNL1111111111 -0.1153 21 C 0.2606 4.6882 -2.4713 C.ar 1 UNL1111111111 -0.1454 22 C 0.8391 3.0452 0.8556 C.2 1 UNL1111111111 0.5969 23 C -3.3338 0.5812 0.7728 C.ar 1 UNL1111111111 -0.1784 24 C -3.2098 -1.0460 -1.0125 C.ar 1 UNL1111111111 -0.1280 25 C 2.1111 -2.0168 0.4238 C.2 1 UNL1111111111 -0.1563 26 C 3.5756 -0.2157 -0.4426 C.2 1 UNL1111111111 -0.1677 27 C -3.9372 -0.4277 0.0162 C.ar 1 UNL1111111111 0.2839 28 C 3.4933 -1.5170 0.2500 C.2 1 UNL1111111111 0.4333 29 C 2.5127 2.1805 2.3115 C.3 1 UNL1111111111 0.0103 30 C 1.7774 0.9819 2.8814 C.3 1 UNL1111111111 -0.4849 31 H -0.4641 1.4728 -3.3308 H 1 UNL1111111111 0.1654 32 H -1.3319 -1.1448 -2.0805 H 1 UNL1111111111 0.1801 33 H -1.5530 1.7713 1.0932 H 1 UNL1111111111 0.1956 34 H 0.0092 -1.7058 0.2019 H 1 UNL1111111111 0.1838 35 H 2.5808 1.4563 -1.3268 H 1 UNL1111111111 0.1845 36 H 0.8545 5.3498 -0.5026 H 1 UNL1111111111 0.1669 37 H -0.3536 3.7507 -4.3127 H 1 UNL1111111111 0.1559 38 H 0.3007 5.6873 -2.9034 H 1 UNL1111111111 0.1586 39 H 3.5851 1.9781 2.1214 H 1 UNL1111111111 0.1476 40 H 2.3998 3.0841 2.9358 H 1 UNL1111111111 0.1376 41 H -5.6914 -0.4349 0.9130 H 1 UNL1111111111 0.3395 42 H 2.2369 0.6402 3.8169 H 1 UNL1111111111 0.1609 43 H 0.7269 1.2209 3.0996 H 1 UNL1111111111 0.1687 44 H 1.7840 0.1345 2.1839 H 1 UNL1111111111 0.1580 @BOND 1 1 23 1 2 2 24 1 3 3 25 1 4 4 26 1 5 5 22 1 6 5 29 1 7 6 27 1 8 6 41 1 9 7 22 2 10 8 28 2 11 9 10 1 12 9 11 1 13 9 12 2 14 10 13 ar 15 10 14 ar 16 11 15 ar 17 11 16 ar 18 12 17 1 19 12 18 1 20 13 19 ar 21 13 22 1 22 14 20 ar 23 14 31 1 24 15 24 ar 25 15 32 1 26 16 23 ar 27 16 33 1 28 17 25 2 29 17 34 1 30 18 26 2 31 18 35 1 32 19 21 ar 33 19 36 1 34 20 21 ar 35 20 37 1 36 21 38 1 37 23 27 ar 38 24 27 ar 39 25 28 1 40 26 28 1 41 29 30 1 42 29 39 1 43 29 40 1 44 30 42 1 45 30 43 1 46 30 44 1