@MOLECULE 4,4'-[(3r,4r)-3,4-hexanediyl]diphenol 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7752 2.9404 0.5398 O.3 1 UNL1111111111 -0.4769 2 O 3.7699 2.9413 -0.5513 O.3 1 UNL1111111111 -0.4767 3 C -0.6334 -1.6283 -0.4430 C.3 1 UNL1111111111 -0.1194 4 C 0.6312 -1.6245 0.4579 C.3 1 UNL1111111111 -0.1193 5 C -1.4805 -2.8970 -0.2154 C.3 1 UNL1111111111 -0.2574 6 C 1.4742 -2.8974 0.2398 C.3 1 UNL1111111111 -0.2571 7 C -1.4650 -0.4003 -0.1797 C.ar 1 UNL1111111111 -0.0564 8 C 1.4617 -0.3972 0.1859 C.ar 1 UNL1111111111 -0.0559 9 C -2.6679 -2.9477 -1.1749 C.3 1 UNL1111111111 -0.4379 10 C 2.7026 -2.9154 1.1475 C.3 1 UNL1111111111 -0.4378 11 C -1.6933 0.5025 -1.2207 C.ar 1 UNL1111111111 -0.0966 12 C 1.6903 0.5096 1.2240 C.ar 1 UNL1111111111 -0.0967 13 C -2.0128 -0.1548 1.0844 C.ar 1 UNL1111111111 -0.1062 14 C 2.0103 -0.1560 -1.0788 C.ar 1 UNL1111111111 -0.1071 15 C -2.4659 1.6441 -1.0191 C.ar 1 UNL1111111111 -0.2979 16 C 2.4618 1.6506 1.0159 C.ar 1 UNL1111111111 -0.2985 17 C -2.7851 0.9769 1.3137 C.ar 1 UNL1111111111 -0.2380 18 C 2.7789 0.9742 -1.3170 C.ar 1 UNL1111111111 -0.2363 19 C -3.0020 1.8586 0.2494 C.ar 1 UNL1111111111 0.2775 20 C 2.9955 1.8615 -0.2523 C.ar 1 UNL1111111111 0.2770 21 H -0.2912 -1.6307 -1.5080 H 1 UNL1111111111 0.1442 22 H 0.2911 -1.6172 1.5233 H 1 UNL1111111111 0.1439 23 H -1.8316 -2.9386 0.8319 H 1 UNL1111111111 0.1378 24 H -0.8576 -3.8002 -0.3661 H 1 UNL1111111111 0.1354 25 H 0.8595 -3.7961 0.4473 H 1 UNL1111111111 0.1352 26 H 1.7810 -2.9769 -0.8190 H 1 UNL1111111111 0.1374 27 H -3.1952 -3.9039 -1.0981 H 1 UNL1111111111 0.1383 28 H -3.3894 -2.1480 -0.9606 H 1 UNL1111111111 0.1523 29 H -2.3501 -2.8279 -2.2182 H 1 UNL1111111111 0.1422 30 H 2.4326 -2.7610 2.1960 H 1 UNL1111111111 0.1423 31 H 3.2264 -3.8748 1.0792 H 1 UNL1111111111 0.1383 32 H 3.4119 -2.1249 0.8733 H 1 UNL1111111111 0.1525 33 H -1.2622 0.3185 -2.2039 H 1 UNL1111111111 0.1512 34 H 1.2582 0.3300 2.2081 H 1 UNL1111111111 0.1513 35 H -1.8350 -0.8556 1.8995 H 1 UNL1111111111 0.1506 36 H 1.8357 -0.8639 -1.8889 H 1 UNL1111111111 0.1507 37 H -2.6369 2.3447 -1.8282 H 1 UNL1111111111 0.1599 38 H 2.6353 2.3526 1.8221 H 1 UNL1111111111 0.1599 39 H -3.2165 1.1879 2.2869 H 1 UNL1111111111 0.1724 40 H 3.2139 1.1814 -2.2893 H 1 UNL1111111111 0.1724 41 H -3.9210 3.5095 -0.2527 H 1 UNL1111111111 0.3249 42 H 3.9176 3.5144 0.2371 H 1 UNL1111111111 0.3244 @BOND 1 1 19 1 2 1 41 1 3 2 20 1 4 2 42 1 5 3 4 1 6 3 5 1 7 3 7 1 8 3 21 1 9 4 6 1 10 4 8 1 11 4 22 1 12 5 9 1 13 5 23 1 14 5 24 1 15 6 10 1 16 6 25 1 17 6 26 1 18 7 11 ar 19 7 13 ar 20 8 12 ar 21 8 14 ar 22 9 27 1 23 9 28 1 24 9 29 1 25 10 30 1 26 10 31 1 27 10 32 1 28 11 15 ar 29 11 33 1 30 12 16 ar 31 12 34 1 32 13 17 ar 33 13 35 1 34 14 18 ar 35 14 36 1 36 15 19 ar 37 15 37 1 38 16 20 ar 39 16 38 1 40 17 19 ar 41 17 39 1 42 18 20 ar 43 18 40 1