@MOLECULE 3-(1,1,2,2,3,3,15,15,15-nonafluoropentadecyl)-1,2-benzenediol 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 F -3.7529 0.1354 1.4730 F 1 UNL111111 -0.2053 2 F -3.5053 2.2002 1.7060 F 1 UNL111111 -0.1759 3 F -5.9795 1.4975 1.0098 F 1 UNL111111 -0.1424 4 F -5.0769 2.7461 -0.4200 F 1 UNL111111 -0.1543 5 F -4.6680 0.6089 -2.1086 F 1 UNL111111 -0.1952 6 F -6.6543 0.9300 -1.5572 F 1 UNL111111 -0.1417 7 F 12.5012 -0.6622 -0.7948 F 1 UNL111111 -0.2146 8 F 11.7448 0.3852 0.8624 F 1 UNL111111 -0.2090 9 F 11.3979 -1.6854 0.6716 F 1 UNL111111 -0.2103 10 O -7.8109 -0.4906 0.1363 O.3 1 UNL111111 -0.2726 11 O -8.1879 -3.1491 0.8317 O.3 1 UNL111111 -0.2588 12 C 1.4044 0.6968 0.4947 C.3 1 UNL111111 -0.2746 13 C 0.1154 0.9648 -0.2994 C.3 1 UNL111111 -0.2721 14 C 2.6294 0.6800 -0.4323 C.3 1 UNL111111 -0.2744 15 C -1.1050 0.9834 0.6348 C.3 1 UNL111111 -0.2556 16 C 3.9224 0.4474 0.3623 C.3 1 UNL111111 -0.2718 17 C -2.4027 1.2205 -0.1541 C.3 1 UNL111111 -0.3354 18 C 5.1471 0.4530 -0.5649 C.3 1 UNL111111 -0.2755 19 C -3.6328 1.2639 0.7563 C.3 1 UNL111111 0.3510 20 C 6.4323 0.2146 0.2388 C.3 1 UNL111111 -0.2712 21 C 7.6573 0.1546 -0.6834 C.3 1 UNL111111 -0.2694 22 C -5.0360 1.5034 0.0642 C.3 1 UNL111111 0.2381 23 C 8.9261 -0.1516 0.1251 C.3 1 UNL111111 -0.2592 24 C -5.4921 0.4941 -1.0569 C.3 1 UNL111111 0.3537 25 C 10.1363 -0.2638 -0.8072 C.3 1 UNL111111 -0.3424 26 C -5.5988 -0.9267 -0.5851 C.ar 1 UNL111111 -0.2582 27 C 11.4148 -0.5495 -0.0270 C.3 1 UNL111111 0.5504 28 C -6.9247 -1.2830 -0.0171 C.ar 1 UNL111111 0.3380 29 C -4.5752 -1.8021 -0.6763 C.ar 1 UNL111111 0.0009 30 C -7.1305 -2.7670 0.4164 C.ar 1 UNL111111 0.3129 31 C -4.7266 -3.1899 -0.2318 C.ar 1 UNL111111 -0.1843 32 C -5.9163 -3.4993 0.2328 C.ar 1 UNL111111 -0.0406 33 H 1.5383 1.4686 1.2767 H 1 UNL111111 0.1426 34 H 1.3260 -0.2650 1.0297 H 1 UNL111111 0.1374 35 H 0.1986 1.9299 -0.8348 H 1 UNL111111 0.1418 36 H -0.0122 0.1935 -1.0806 H 1 UNL111111 0.1354 37 H 2.6946 1.6342 -0.9882 H 1 UNL111111 0.1389 38 H 2.5125 -0.1111 -1.1953 H 1 UNL111111 0.1349 39 H -0.9652 1.7690 1.4018 H 1 UNL111111 0.1561 40 H -1.1590 0.0284 1.1889 H 1 UNL111111 0.1479 41 H 3.8653 -0.5174 0.9005 H 1 UNL111111 0.1377 42 H 4.0353 1.2251 1.1407 H 1 UNL111111 0.1400 43 H -2.5105 0.4216 -0.9173 H 1 UNL111111 0.1634 44 H -2.3279 2.1696 -0.7295 H 1 UNL111111 0.1826 45 H 5.0356 -0.3243 -1.3411 H 1 UNL111111 0.1362 46 H 5.2099 1.4155 -1.1060 H 1 UNL111111 0.1379 47 H 6.3487 -0.7272 0.8141 H 1 UNL111111 0.1399 48 H 6.5618 1.0172 0.9911 H 1 UNL111111 0.1407 49 H 7.5048 -0.6171 -1.4587 H 1 UNL111111 0.1387 50 H 7.7686 1.1131 -1.2258 H 1 UNL111111 0.1398 51 H 8.7856 -1.0880 0.6933 H 1 UNL111111 0.1529 52 H 9.0852 0.6395 0.8850 H 1 UNL111111 0.1542 53 H 10.2545 0.6701 -1.4002 H 1 UNL111111 0.1800 54 H 9.9648 -1.0665 -1.5585 H 1 UNL111111 0.1795 55 H -3.5976 -1.5293 -1.0775 H 1 UNL111111 0.1707 56 H -3.8845 -3.8728 -0.3126 H 1 UNL111111 0.1902 @BOND 1 10 28 1 2 11 30 1 3 6 24 1 4 28 30 ar 5 28 26 ar 6 30 32 ar 7 3 22 1 8 24 26 1 9 24 22 1 10 24 5 1 11 26 29 ar 12 4 22 1 13 32 31 ar 14 22 19 1 15 29 31 ar 16 29 55 1 17 31 56 1 18 19 1 1 19 19 2 1 20 19 17 1 21 44 17 1 22 43 17 1 23 17 15 1 24 15 40 1 25 15 39 1 26 15 13 1 27 36 13 1 28 35 13 1 29 13 12 1 30 12 34 1 31 12 33 1 32 12 14 1 33 38 14 1 34 37 14 1 35 14 16 1 36 16 42 1 37 16 41 1 38 16 18 1 39 45 18 1 40 46 18 1 41 18 20 1 42 20 47 1 43 20 48 1 44 20 21 1 45 49 21 1 46 50 21 1 47 21 23 1 48 23 51 1 49 23 52 1 50 23 25 1 51 54 25 1 52 53 25 1 53 25 27 1 54 27 9 1 55 27 8 1 56 27 7 1