@MOLECULE 4-(hexyloxy)-2,3,6-trimethylphenol 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2519 -0.1626 1.0645 O.3 1 UNL11111111111 -0.3625 2 O 4.8562 0.4537 -0.7773 O.3 1 UNL11111111111 -0.4716 3 C -3.6729 0.5291 -0.1960 C.3 1 UNL11111111111 -0.2723 4 C -2.5444 -0.1523 0.5838 C.3 1 UNL11111111111 -0.2959 5 C -5.0083 -0.1961 0.0194 C.3 1 UNL11111111111 -0.2692 6 C -1.2362 0.6121 0.3665 C.3 1 UNL11111111111 -0.0353 7 C -6.1284 0.4803 -0.7816 C.3 1 UNL11111111111 -0.2525 8 C 1.0218 0.0076 0.5776 C.ar 1 UNL11111111111 0.1506 9 C 1.7144 -1.1635 0.2410 C.ar 1 UNL11111111111 -0.0150 10 C 3.0251 -1.0393 -0.2331 C.ar 1 UNL11111111111 -0.0949 11 C 2.9021 1.4108 0.0402 C.ar 1 UNL11111111111 -0.0091 12 C 1.5940 1.2774 0.4932 C.ar 1 UNL11111111111 -0.2347 13 C 3.5891 0.2408 -0.3179 C.ar 1 UNL11111111111 0.1814 14 C -7.4748 -0.1920 -0.5156 C.3 1 UNL11111111111 -0.4406 15 C 1.0455 -2.4860 0.3943 C.3 1 UNL11111111111 -0.4316 16 C 3.8232 -2.2240 -0.6605 C.3 1 UNL11111111111 -0.4373 17 C 3.5692 2.7338 -0.0943 C.3 1 UNL11111111111 -0.4243 18 H -3.7689 1.5858 0.1188 H 1 UNL11111111111 0.1373 19 H -3.4307 0.5542 -1.2741 H 1 UNL11111111111 0.1379 20 H -2.4239 -1.2040 0.2602 H 1 UNL11111111111 0.1519 21 H -2.7825 -0.2007 1.6630 H 1 UNL11111111111 0.1514 22 H -4.9185 -1.2581 -0.2784 H 1 UNL11111111111 0.1378 23 H -5.2688 -0.2045 1.0947 H 1 UNL11111111111 0.1385 24 H -0.9804 0.6936 -0.7037 H 1 UNL11111111111 0.1269 25 H -1.2597 1.6141 0.8254 H 1 UNL11111111111 0.1224 26 H -6.1820 1.5553 -0.5223 H 1 UNL11111111111 0.1337 27 H -5.8962 0.4435 -1.8625 H 1 UNL11111111111 0.1334 28 H 1.0205 2.1522 0.7867 H 1 UNL11111111111 0.1676 29 H -8.2734 0.2758 -1.1002 H 1 UNL11111111111 0.1406 30 H -7.4503 -1.2558 -0.7787 H 1 UNL11111111111 0.1430 31 H -7.7562 -0.1215 0.5418 H 1 UNL11111111111 0.1430 32 H 1.6553 -3.1810 0.9884 H 1 UNL11111111111 0.1549 33 H 0.0745 -2.4003 0.9099 H 1 UNL11111111111 0.1715 34 H 0.8476 -2.9509 -0.5818 H 1 UNL11111111111 0.1538 35 H 4.6142 -2.4555 0.0681 H 1 UNL11111111111 0.1560 36 H 3.2128 -3.1338 -0.7563 H 1 UNL11111111111 0.1651 37 H 4.2854 -2.0715 -1.6475 H 1 UNL11111111111 0.1511 38 H 2.9343 3.5687 0.2257 H 1 UNL11111111111 0.1481 39 H 4.4972 2.7703 0.4989 H 1 UNL11111111111 0.1648 40 H 3.8656 2.9181 -1.1401 H 1 UNL11111111111 0.1635 41 H 5.3476 -0.3928 -0.9055 H 1 UNL11111111111 0.3209 @BOND 1 1 6 1 2 1 8 1 3 2 13 1 4 2 41 1 5 3 4 1 6 3 5 1 7 3 18 1 8 3 19 1 9 4 6 1 10 4 20 1 11 4 21 1 12 5 7 1 13 5 22 1 14 5 23 1 15 6 24 1 16 6 25 1 17 7 14 1 18 7 26 1 19 7 27 1 20 8 9 ar 21 8 12 ar 22 9 10 ar 23 9 15 1 24 10 13 ar 25 10 16 1 26 11 12 ar 27 11 13 ar 28 11 17 1 29 12 28 1 30 14 29 1 31 14 30 1 32 14 31 1 33 15 32 1 34 15 33 1 35 15 34 1 36 16 35 1 37 16 36 1 38 16 37 1 39 17 38 1 40 17 39 1 41 17 40 1