@MOLECULE 4-bromo-3-hydroxy-6-methyl-6-(2-methyl-2-propanyl)-2h-pyran-2,5(6h)-dione 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 BR -2.6325 -0.6309 0.0980 Br 1 UNL1111111111 0.0488 2 O 1.6648 1.1944 -0.5566 O.3 1 UNL1111111111 -0.3767 3 O -0.0123 -2.0089 -0.5650 O.2 1 UNL1111111111 -0.3816 4 O -1.6878 2.2657 0.3182 O.2 1 UNL1111111111 -0.3789 5 O 0.8814 3.1802 -0.0565 O.2 1 UNL1111111111 -0.4290 6 C 2.5020 -0.7068 0.5874 C.3 1 UNL1111111111 0.1075 7 C 1.5750 -0.2420 -0.5827 C.3 1 UNL1111111111 0.1677 8 C 2.8114 -2.2008 0.4518 C.3 1 UNL1111111111 -0.4685 9 C 3.8121 0.0908 0.5495 C.3 1 UNL1111111111 -0.4548 10 C 1.7915 -0.4479 1.9231 C.3 1 UNL1111111111 -0.4779 11 C 2.0653 -0.5852 -1.9835 C.3 1 UNL1111111111 -0.4667 12 C 0.1644 -0.8255 -0.4257 C.2 1 UNL1111111111 0.4053 13 C -0.9231 0.1013 -0.1147 C.2 1 UNL1111111111 -0.2628 14 C 0.6645 2.0001 -0.1842 C.2 1 UNL1111111111 0.5319 15 C -0.6980 1.4178 0.0160 C.2 1 UNL1111111111 0.1702 16 H 3.3900 -2.4207 -0.4518 H 1 UNL1111111111 0.1500 17 H 3.3993 -2.5569 1.3051 H 1 UNL1111111111 0.1521 18 H 1.8992 -2.8119 0.4138 H 1 UNL1111111111 0.1696 19 H 3.6380 1.1672 0.6833 H 1 UNL1111111111 0.1646 20 H 4.3400 -0.0329 -0.4017 H 1 UNL1111111111 0.1476 21 H 4.4916 -0.2303 1.3462 H 1 UNL1111111111 0.1482 22 H 0.8848 -1.0538 2.0355 H 1 UNL1111111111 0.1555 23 H 2.4439 -0.7029 2.7678 H 1 UNL1111111111 0.1599 24 H 1.5183 0.6064 2.0437 H 1 UNL1111111111 0.1491 25 H 1.4540 -0.0973 -2.7551 H 1 UNL1111111111 0.1655 26 H 3.1004 -0.2532 -2.1417 H 1 UNL1111111111 0.1719 27 H 2.0248 -1.6678 -2.1635 H 1 UNL1111111111 0.1793 28 H -1.3529 3.2157 0.3752 H 1 UNL1111111111 0.3524 @BOND 1 1 13 1 2 2 7 1 3 2 14 1 4 3 12 2 5 4 15 1 6 4 28 1 7 5 14 2 8 6 7 1 9 6 8 1 10 6 9 1 11 6 10 1 12 7 11 1 13 7 12 1 14 8 16 1 15 8 17 1 16 8 18 1 17 9 19 1 18 9 20 1 19 9 21 1 20 10 22 1 21 10 23 1 22 10 24 1 23 11 25 1 24 11 26 1 25 11 27 1 26 12 13 1 27 13 15 2 28 14 15 1