@MOLECULE (3z)-3-{(4-bromophenyl)[4-(methylsulfonyl)phenyl]methylene}dihydro-2(3h)-furanone 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 BR -4.8969 2.2595 -0.0344 Br 1 UNL1111111111 -0.0567 2 S 5.1742 1.6373 0.0447 S.O2 1 UNL1111111111 2.2342 3 O -0.9129 -4.9284 -0.1846 O.3 1 UNL1111111111 -0.3815 4 O -2.4227 -3.3162 0.0567 O.2 1 UNL1111111111 -0.4200 5 O 5.7373 1.5529 1.3751 O.2 1 UNL1111111111 -0.9086 6 O 5.9273 1.2161 -1.1178 O.2 1 UNL1111111111 -0.9120 7 C -0.0426 -2.7677 0.0355 C.2 1 UNL1111111111 -0.1495 8 C -0.0063 -1.4306 0.0428 C.2 1 UNL1111111111 0.0181 9 C 1.1332 -3.6893 0.0325 C.3 1 UNL1111111111 -0.3158 10 C 1.2758 -0.7028 0.0514 C.ar 1 UNL1111111111 0.0241 11 C 0.5123 -5.0815 -0.1908 C.3 1 UNL1111111111 -0.0268 12 C -1.1919 -0.5655 0.0249 C.ar 1 UNL1111111111 -0.0427 13 C -1.2648 -3.6098 -0.0226 C.2 1 UNL1111111111 0.5895 14 C 3.6594 0.7238 0.0500 C.ar 1 UNL1111111111 -0.3969 15 C 1.9918 -0.5496 -1.1380 C.ar 1 UNL1111111111 -0.1924 16 C 1.7585 -0.1604 1.2430 C.ar 1 UNL1111111111 -0.1794 17 C 3.1872 0.1646 -1.1352 C.ar 1 UNL1111111111 -0.0668 18 C 2.9586 0.5479 1.2402 C.ar 1 UNL1111111111 -0.0657 19 C -2.1750 -0.6877 1.0102 C.ar 1 UNL1111111111 -0.0895 20 C -1.3201 0.3969 -0.9822 C.ar 1 UNL1111111111 -0.1302 21 C 4.6649 3.3241 -0.2220 C.3 1 UNL1111111111 -0.7534 22 C -3.2844 0.1564 0.9965 C.ar 1 UNL1111111111 -0.1485 23 C -2.4277 1.2399 -1.0070 C.ar 1 UNL1111111111 -0.1562 24 C -3.3888 1.1064 -0.0116 C.ar 1 UNL1111111111 -0.0027 25 H 1.6958 -3.6363 0.9851 H 1 UNL1111111111 0.1700 26 H 1.8645 -3.4314 -0.7567 H 1 UNL1111111111 0.1685 27 H 0.7613 -5.5193 -1.1706 H 1 UNL1111111111 0.1431 28 H 0.7318 -5.7971 0.6171 H 1 UNL1111111111 0.1437 29 H 1.6169 -0.9875 -2.0613 H 1 UNL1111111111 0.1620 30 H 1.1993 -0.2893 2.1684 H 1 UNL1111111111 0.1640 31 H 3.7522 0.2661 -2.0689 H 1 UNL1111111111 0.1744 32 H 3.3433 0.9494 2.1854 H 1 UNL1111111111 0.1739 33 H -2.0853 -1.4541 1.7816 H 1 UNL1111111111 0.1699 34 H -0.5544 0.4837 -1.7518 H 1 UNL1111111111 0.1570 35 H 5.5385 3.9833 -0.3308 H 1 UNL1111111111 0.1936 36 H 4.0710 3.4435 -1.1346 H 1 UNL1111111111 0.1812 37 H 4.0805 3.7193 0.6168 H 1 UNL1111111111 0.1840 38 H -4.0521 0.0507 1.7640 H 1 UNL1111111111 0.1744 39 H -2.5257 1.9825 -1.7988 H 1 UNL1111111111 0.1696 @BOND 1 1 24 1 2 2 5 2 3 2 6 2 4 2 14 1 5 2 21 1 6 3 11 1 7 3 13 1 8 4 13 2 9 7 8 2 10 7 9 1 11 7 13 1 12 8 10 1 13 8 12 1 14 9 11 1 15 9 25 1 16 9 26 1 17 10 15 ar 18 10 16 ar 19 11 27 1 20 11 28 1 21 12 19 ar 22 12 20 ar 23 14 17 ar 24 14 18 ar 25 15 17 ar 26 15 29 1 27 16 18 ar 28 16 30 1 29 17 31 1 30 18 32 1 31 19 22 ar 32 19 33 1 33 20 23 ar 34 20 34 1 35 21 35 1 36 21 36 1 37 21 37 1 38 22 24 ar 39 22 38 1 40 23 24 ar 41 23 39 1