@MOLECULE 4,4'-[1,6-hexanediylbis(oxy)]dibenzoic acid 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1724 -0.6326 0.6320 O.3 1 UNL1111111111 -0.3422 2 O 4.1730 0.7655 0.4326 O.3 1 UNL1111111111 -0.3410 3 O -10.2366 -0.9203 -0.6277 O.3 1 UNL1111111111 -0.5645 4 O 10.3080 0.7132 -0.5110 O.3 1 UNL1111111111 -0.5642 5 O -10.0772 1.2824 -0.8853 O.2 1 UNL1111111111 -0.5178 6 O 10.0419 -1.4848 -0.7225 O.2 1 UNL1111111111 -0.5178 7 C -0.6547 0.5015 0.5190 C.3 1 UNL1111111111 -0.2643 8 C 0.6403 -0.3220 0.5071 C.3 1 UNL1111111111 -0.2647 9 C -1.8685 -0.4265 0.6073 C.3 1 UNL1111111111 -0.2966 10 C 1.8626 0.5991 0.4966 C.3 1 UNL1111111111 -0.2962 11 C -3.1650 0.3777 0.4940 C.3 1 UNL1111111111 -0.0427 12 C 3.1429 -0.2296 0.3768 C.3 1 UNL1111111111 -0.0431 13 C -5.4482 -0.3111 0.3342 C.ar 1 UNL1111111111 0.3132 14 C 5.4434 0.3816 0.1899 C.ar 1 UNL1111111111 0.3129 15 C -5.9126 0.9673 0.0108 C.ar 1 UNL1111111111 -0.3422 16 C 5.8643 -0.9331 -0.0343 C.ar 1 UNL1111111111 -0.3426 17 C -6.3088 -1.4252 0.3805 C.ar 1 UNL1111111111 -0.2918 18 C 6.3496 1.4595 0.1916 C.ar 1 UNL1111111111 -0.2921 19 C -7.2609 1.1254 -0.2919 C.ar 1 UNL1111111111 0.0093 20 C 7.2155 -1.1674 -0.2651 C.ar 1 UNL1111111111 0.0092 21 C -7.6460 -1.2476 0.0733 C.ar 1 UNL1111111111 0.0061 22 C 7.6902 1.2062 -0.0393 C.ar 1 UNL1111111111 0.0066 23 C -8.1234 0.0256 -0.2702 C.ar 1 UNL1111111111 -0.2370 24 C 8.1259 -0.1066 -0.2701 C.ar 1 UNL1111111111 -0.2371 25 C -9.5268 0.2429 -0.6183 C.2 1 UNL1111111111 0.6584 26 C 9.5342 -0.4092 -0.5209 C.2 1 UNL1111111111 0.6582 27 H -0.7116 1.1267 -0.3928 H 1 UNL1111111111 0.1415 28 H -0.6493 1.2064 1.3726 H 1 UNL1111111111 0.1425 29 H 0.6530 -0.9873 -0.3780 H 1 UNL1111111111 0.1415 30 H 0.6728 -0.9887 1.3905 H 1 UNL1111111111 0.1425 31 H -1.8596 -0.9941 1.5594 H 1 UNL1111111111 0.1576 32 H -1.8356 -1.1946 -0.1913 H 1 UNL1111111111 0.1567 33 H 1.8969 1.2181 1.4150 H 1 UNL1111111111 0.1578 34 H 1.8043 1.3222 -0.3412 H 1 UNL1111111111 0.1565 35 H -3.2593 0.8773 -0.4852 H 1 UNL1111111111 0.1319 36 H -3.2885 1.1073 1.3120 H 1 UNL1111111111 0.1327 37 H 3.1988 -0.7727 -0.5821 H 1 UNL1111111111 0.1319 38 H 3.2783 -0.9255 1.2223 H 1 UNL1111111111 0.1326 39 H -5.2497 1.8247 -0.0040 H 1 UNL1111111111 0.1684 40 H 5.1658 -1.7616 -0.0271 H 1 UNL1111111111 0.1682 41 H -5.9099 -2.4003 0.6483 H 1 UNL1111111111 0.1783 42 H 5.9837 2.4669 0.3729 H 1 UNL1111111111 0.1783 43 H -7.6538 2.1147 -0.5514 H 1 UNL1111111111 0.1720 44 H 7.5737 -2.1871 -0.4439 H 1 UNL1111111111 0.1720 45 H -8.3341 -2.0989 0.0943 H 1 UNL1111111111 0.1747 46 H 8.4135 2.0280 -0.0436 H 1 UNL1111111111 0.1747 47 H -11.1876 -0.7904 -0.8639 H 1 UNL1111111111 0.3558 48 H 11.2637 0.5232 -0.6786 H 1 UNL1111111111 0.3556 @BOND 1 1 11 1 2 1 13 1 3 2 12 1 4 2 14 1 5 3 25 1 6 3 47 1 7 4 26 1 8 4 48 1 9 5 25 2 10 6 26 2 11 7 8 1 12 7 9 1 13 7 27 1 14 7 28 1 15 8 10 1 16 8 29 1 17 8 30 1 18 9 11 1 19 9 31 1 20 9 32 1 21 10 12 1 22 10 33 1 23 10 34 1 24 11 35 1 25 11 36 1 26 12 37 1 27 12 38 1 28 13 15 ar 29 13 17 ar 30 14 16 ar 31 14 18 ar 32 15 19 ar 33 15 39 1 34 16 20 ar 35 16 40 1 36 17 21 ar 37 17 41 1 38 18 22 ar 39 18 42 1 40 19 23 ar 41 19 43 1 42 20 24 ar 43 20 44 1 44 21 23 ar 45 21 45 1 46 22 24 ar 47 22 46 1 48 23 25 1 49 24 26 1