@MOLECULE 4,4-bis(4-hydroxyphenyl)-3-hexanone 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2794 -2.0103 1.5383 O.2 1 UNL111111111 -0.4558 2 O 4.3755 2.6913 0.2957 O.3 1 UNL111111111 -0.4756 3 O -4.8552 1.9635 0.5512 O.3 1 UNL111111111 -0.4768 4 C -0.0220 -0.7552 -0.4921 C.3 1 UNL111111111 -0.0574 5 C -0.1491 -1.3260 -1.9239 C.3 1 UNL111111111 -0.2547 6 C 1.1497 0.1929 -0.3188 C.ar 1 UNL111111111 -0.1016 7 C -1.3097 -0.0253 -0.1807 C.ar 1 UNL111111111 -0.0731 8 C 0.3061 -1.8951 0.4938 C.2 1 UNL111111111 0.4740 9 C 1.4408 -2.8182 0.1187 C.3 1 UNL111111111 -0.3596 10 C -1.2690 -2.3575 -2.0487 C.3 1 UNL111111111 -0.4427 11 C 1.3437 0.7565 0.9499 C.ar 1 UNL111111111 -0.0761 12 C -1.4417 1.3066 -0.5870 C.ar 1 UNL111111111 -0.0862 13 C 2.0349 0.5039 -1.3525 C.ar 1 UNL111111111 -0.1008 14 C -2.3862 -0.6587 0.4507 C.ar 1 UNL111111111 -0.0741 15 C 2.0115 -3.4997 1.3578 C.3 1 UNL111111111 -0.4180 16 C 2.4156 1.6042 1.1988 C.ar 1 UNL111111111 -0.2982 17 C -2.6179 2.0141 -0.3578 C.ar 1 UNL111111111 -0.3131 18 C 3.1152 1.3512 -1.1307 C.ar 1 UNL111111111 -0.2466 19 C -3.5713 0.0248 0.6940 C.ar 1 UNL111111111 -0.2510 20 C 3.2926 1.8846 0.1483 C.ar 1 UNL111111111 0.2916 21 C -3.6672 1.3574 0.2853 C.ar 1 UNL111111111 0.2898 22 H -0.3448 -0.4882 -2.6253 H 1 UNL111111111 0.1513 23 H 0.8086 -1.7769 -2.2454 H 1 UNL111111111 0.1378 24 H 1.0713 -3.5768 -0.6017 H 1 UNL111111111 0.1657 25 H 2.2390 -2.2589 -0.4108 H 1 UNL111111111 0.1657 26 H -1.2922 -2.7935 -3.0539 H 1 UNL111111111 0.1444 27 H -1.1582 -3.1797 -1.3340 H 1 UNL111111111 0.1440 28 H -2.2536 -1.9030 -1.8709 H 1 UNL111111111 0.1598 29 H 0.6380 0.5236 1.7544 H 1 UNL111111111 0.1748 30 H -0.6124 1.8064 -1.0906 H 1 UNL111111111 0.1573 31 H 1.8940 0.0918 -2.3515 H 1 UNL111111111 0.1545 32 H -2.3086 -1.7016 0.7667 H 1 UNL111111111 0.1717 33 H 1.2287 -4.0356 1.9134 H 1 UNL111111111 0.1607 34 H 2.7945 -4.2188 1.0975 H 1 UNL111111111 0.1398 35 H 2.4439 -2.7683 2.0525 H 1 UNL111111111 0.1517 36 H 2.5631 2.0345 2.1835 H 1 UNL111111111 0.1646 37 H -2.7101 3.0469 -0.6716 H 1 UNL111111111 0.1590 38 H 3.8139 1.6010 -1.9244 H 1 UNL111111111 0.1737 39 H -4.4102 -0.4531 1.1925 H 1 UNL111111111 0.1755 40 H 4.4557 3.0462 1.2135 H 1 UNL111111111 0.3286 41 H -4.8673 2.9044 0.2564 H 1 UNL111111111 0.3252 @BOND 1 1 8 2 2 2 20 1 3 2 40 1 4 3 21 1 5 3 41 1 6 4 5 1 7 4 6 1 8 4 7 1 9 4 8 1 10 5 10 1 11 5 22 1 12 5 23 1 13 6 11 ar 14 6 13 ar 15 7 12 ar 16 7 14 ar 17 8 9 1 18 9 15 1 19 9 24 1 20 9 25 1 21 10 26 1 22 10 27 1 23 10 28 1 24 11 16 ar 25 11 29 1 26 12 17 ar 27 12 30 1 28 13 18 ar 29 13 31 1 30 14 19 ar 31 14 32 1 32 15 33 1 33 15 34 1 34 15 35 1 35 16 20 ar 36 16 36 1 37 17 21 ar 38 17 37 1 39 18 20 ar 40 18 38 1 41 19 21 ar 42 19 39 1