@MOLECULE ethyl 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoate 43 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -1.9835 -3.6500 0.0903 Br 1 UNL1 0.0381 2 BR 2.4011 -3.4988 0.2523 Br 1 UNL1 0.0296 3 BR -5.2476 0.9564 -0.7136 Br 1 UNL1 0.0137 4 BR 5.3697 1.3440 -0.3328 Br 1 UNL1 0.0050 5 O 0.1274 -1.6611 -0.1197 O.2 1 UNL1 -0.1852 6 O -1.2533 2.8608 2.1056 O.3 1 UNL1 -0.4139 7 O -4.6102 -1.8418 -0.2852 O.3 1 UNL1 -0.4101 8 O 4.8000 -1.5920 0.0550 O.2 1 UNL1 -0.3721 9 O 0.9754 2.8084 2.3830 O.2 1 UNL1 -0.4677 10 C 0.0914 1.1404 -0.5450 C.ar 1 UNL1 0.1229 11 C -1.1344 0.3900 -0.4822 C.ar 1 UNL1 -0.2243 12 C 1.2784 0.4919 -0.3955 C.ar 1 UNL1 -0.1419 13 C 0.0577 2.5903 -0.7827 C.ar 1 UNL1 -0.0163 14 C -1.0463 -0.9955 -0.2692 C.ar 1 UNL1 0.3031 15 C 1.2987 -0.9402 -0.1790 C.ar 1 UNL1 0.2494 16 C 0.0313 3.4946 0.2793 C.ar 1 UNL1 -0.0999 17 C -2.4085 0.9788 -0.6119 C.ar 1 UNL1 0.0047 18 C 2.5678 1.1595 -0.4308 C.ar 1 UNL1 -0.0843 19 C -2.1855 -1.8054 -0.1932 C.ar 1 UNL1 -0.2998 20 C 0.1215 3.0623 -2.0953 C.ar 1 UNL1 -0.1401 21 C 2.4382 -1.6489 -0.0261 C.ar 1 UNL1 -0.2794 22 C -3.5364 0.1924 -0.5390 C.ar 1 UNL1 -0.1812 23 C -3.4338 -1.2034 -0.3316 C.ar 1 UNL1 0.3539 24 C 3.7063 0.4684 -0.2832 C.ar 1 UNL1 -0.1429 25 C 3.7579 -0.9993 -0.0698 C.ar 1 UNL1 0.4628 26 C 0.0634 4.8671 0.0421 C.ar 1 UNL1 -0.1076 27 C 0.1629 4.4335 -2.3350 C.ar 1 UNL1 -0.1220 28 C 0.1377 5.3321 -1.2690 C.ar 1 UNL1 -0.1400 29 C 0.0197 3.0175 1.6833 C.2 1 UNL1 0.5825 30 C -1.4081 2.4183 3.4682 C.3 1 UNL1 0.0067 31 C -2.9119 2.3436 3.6571 C.3 1 UNL1 -0.4622 32 H -2.4770 2.0634 -0.7637 H 1 UNL1 0.1875 33 H 2.5518 2.2459 -0.5735 H 1 UNL1 0.1838 34 H 0.1485 2.3583 -2.9282 H 1 UNL1 0.1699 35 H 0.0412 5.5714 0.8748 H 1 UNL1 0.1661 36 H 0.2250 4.8043 -3.3581 H 1 UNL1 0.1570 37 H 0.1771 6.4035 -1.4614 H 1 UNL1 0.1582 38 H -4.5357 -2.8276 -0.1527 H 1 UNL1 0.3439 39 H -0.9061 1.4406 3.5745 H 1 UNL1 0.1399 40 H -0.9222 3.1543 4.1330 H 1 UNL1 0.1346 41 H -3.1664 2.0302 4.6767 H 1 UNL1 0.1562 42 H -3.3912 3.3143 3.4754 H 1 UNL1 0.1591 43 H -3.3682 1.6300 2.9566 H 1 UNL1 0.1625 @BOND 1 36 27 1 2 34 20 1 3 27 20 ar 4 27 28 ar 5 20 13 ar 6 37 28 1 7 28 26 ar 8 13 10 1 9 13 16 ar 10 32 17 1 11 3 22 1 12 17 22 ar 13 17 11 ar 14 33 18 1 15 10 11 ar 16 10 12 ar 17 22 23 ar 18 11 14 ar 19 18 12 ar 20 18 24 ar 21 12 15 1 22 4 24 1 23 23 7 1 24 23 19 ar 25 7 38 1 26 24 25 ar 27 14 19 ar 28 14 5 ar 29 19 1 1 30 15 5 ar 31 15 21 ar 32 25 21 ar 33 25 8 2 34 21 2 1 35 26 16 ar 36 26 35 1 37 16 29 1 38 29 6 1 39 29 9 2 40 6 30 1 41 43 31 1 42 30 39 1 43 30 31 1 44 30 40 1 45 42 31 1 46 31 41 1