@MOLECULE 4,4'-[(2r,3s)-1-bromo-2,3-pentanediyl]diphenol 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 BR -0.9765 -2.6944 0.0087 Br 1 UNL11 -0.1269 2 O 6.1064 -0.2907 -0.2480 O.3 1 UNL11 -0.4731 3 O -5.6135 1.6455 0.1505 O.3 1 UNL11 -0.4740 4 C 0.7123 1.2322 0.2608 C.3 1 UNL11 -0.1145 5 C -0.2225 0.0742 -0.1941 C.3 1 UNL11 -0.1249 6 C 0.4474 2.4967 -0.5820 C.3 1 UNL11 -0.2539 7 C 2.1534 0.8165 0.1400 C.ar 1 UNL11 -0.0759 8 C -1.6659 0.4889 -0.1092 C.ar 1 UNL11 -0.0788 9 C 0.0393 -1.1551 0.6739 C.3 1 UNL11 -0.2360 10 C 1.2384 3.6893 -0.0482 C.3 1 UNL11 -0.4380 11 C 2.9661 0.8097 1.2745 C.ar 1 UNL11 -0.1012 12 C 2.6899 0.4501 -1.1010 C.ar 1 UNL11 -0.0996 13 C -2.4504 0.4722 -1.2638 C.ar 1 UNL11 -0.0830 14 C -2.2289 0.8847 1.1100 C.ar 1 UNL11 -0.0955 15 C 4.3068 0.4409 1.1868 C.ar 1 UNL11 -0.3024 16 C 4.0213 0.0775 -1.2161 C.ar 1 UNL11 -0.2377 17 C -3.7883 0.8560 -1.2185 C.ar 1 UNL11 -0.3033 18 C -3.5601 1.2701 1.1831 C.ar 1 UNL11 -0.2410 19 C 4.8126 0.0811 -0.0618 C.ar 1 UNL11 0.2824 20 C -4.3210 1.2501 0.0089 C.ar 1 UNL11 0.2875 21 H 0.4750 1.4736 1.3270 H 1 UNL11 0.1460 22 H 0.0352 -0.1694 -1.2583 H 1 UNL11 0.1588 23 H -0.6359 2.7323 -0.5708 H 1 UNL11 0.1484 24 H 0.7038 2.3127 -1.6414 H 1 UNL11 0.1380 25 H 1.1002 -1.4553 0.6525 H 1 UNL11 0.1683 26 H -0.2675 -1.0081 1.7192 H 1 UNL11 0.1591 27 H 1.0655 4.5840 -0.6568 H 1 UNL11 0.1421 28 H 2.3172 3.4891 -0.0558 H 1 UNL11 0.1502 29 H 0.9556 3.9316 0.9818 H 1 UNL11 0.1418 30 H 2.5559 1.0994 2.2417 H 1 UNL11 0.1515 31 H 2.0580 0.4600 -1.9897 H 1 UNL11 0.1551 32 H -2.0194 0.1510 -2.2126 H 1 UNL11 0.1539 33 H -1.6205 0.8917 2.0140 H 1 UNL11 0.1513 34 H 4.9370 0.4378 2.0686 H 1 UNL11 0.1599 35 H 4.4554 -0.2106 -2.1703 H 1 UNL11 0.1763 36 H -4.3974 0.8418 -2.1150 H 1 UNL11 0.1607 37 H -4.0163 1.5795 2.1196 H 1 UNL11 0.1753 38 H 6.6262 -0.2697 0.5903 H 1 UNL11 0.3265 39 H -6.1156 1.5918 -0.6972 H 1 UNL11 0.3268 @BOND 1 1 9 1 2 2 19 1 3 2 38 1 4 3 20 1 5 3 39 1 6 4 5 1 7 4 6 1 8 4 7 1 9 4 21 1 10 5 8 1 11 5 9 1 12 5 22 1 13 6 10 1 14 6 23 1 15 6 24 1 16 7 11 ar 17 7 12 ar 18 8 13 ar 19 8 14 ar 20 9 25 1 21 9 26 1 22 10 27 1 23 10 28 1 24 10 29 1 25 11 15 ar 26 11 30 1 27 12 16 ar 28 12 31 1 29 13 17 ar 30 13 32 1 31 14 18 ar 32 14 33 1 33 15 19 ar 34 15 34 1 35 16 19 ar 36 16 35 1 37 17 20 ar 38 17 36 1 39 18 20 ar 40 18 37 1