@MOLECULE tretoquinol 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2555 -1.7159 -1.0574 O.3 1 UNL1111111111 -0.4492 2 O -3.3914 -2.4999 1.4114 O.3 1 UNL1111111111 -0.4916 3 O 3.6464 1.4546 0.4528 O.3 1 UNL1111111111 -0.3022 4 O 1.1578 -2.5107 -0.9308 O.3 1 UNL1111111111 -0.3460 5 O 3.3403 -1.4471 0.5211 O.3 1 UNL1111111111 -0.3259 6 N -1.0157 3.3524 -0.0051 N.3 1 UNL1111111111 -0.5666 7 C -1.5816 2.3204 -0.9068 C.3 1 UNL1111111111 0.0792 8 C -2.0782 1.0631 -0.2358 C.ar 1 UNL1111111111 -0.0507 9 C -0.4688 1.9570 -1.9429 C.3 1 UNL1111111111 -0.2852 10 C -1.6310 0.7056 1.0391 C.ar 1 UNL1111111111 0.0287 11 C -0.7043 1.6310 1.7520 C.3 1 UNL1111111111 -0.2924 12 C -1.1167 3.0791 1.4437 C.3 1 UNL1111111111 -0.0825 13 C 0.5726 1.0569 -1.3554 C.ar 1 UNL1111111111 0.1035 14 C -2.9681 0.2389 -0.9294 C.ar 1 UNL1111111111 -0.2122 15 C -2.0442 -0.4921 1.6292 C.ar 1 UNL1111111111 -0.2642 16 C -3.3886 -0.9511 -0.3443 C.ar 1 UNL1111111111 0.1933 17 C -2.9185 -1.3129 0.9314 C.ar 1 UNL1111111111 0.1439 18 C 0.4033 -0.3305 -1.4174 C.ar 1 UNL1111111111 -0.2878 19 C 1.6834 1.5989 -0.7179 C.ar 1 UNL1111111111 -0.2794 20 C 2.6362 0.7567 -0.1223 C.ar 1 UNL1111111111 0.2102 21 C 1.3386 -1.1541 -0.8040 C.ar 1 UNL1111111111 0.2045 22 C 2.4687 -0.6326 -0.1571 C.ar 1 UNL1111111111 -0.0366 23 C 4.6061 0.7356 1.2160 C.3 1 UNL1111111111 -0.1928 24 C 0.7425 -3.1140 0.2934 C.3 1 UNL1111111111 -0.1939 25 C 4.0914 -2.2974 -0.3469 C.3 1 UNL1111111111 -0.2077 26 H -2.4354 2.7723 -1.4848 H 1 UNL1111111111 0.1196 27 H -0.0062 2.8982 -2.3066 H 1 UNL1111111111 0.1617 28 H -0.9430 1.4829 -2.8242 H 1 UNL1111111111 0.1490 29 H -0.6885 1.4592 2.8426 H 1 UNL1111111111 0.1458 30 H 0.3412 1.4578 1.3994 H 1 UNL1111111111 0.1859 31 H -2.1366 3.2695 1.8426 H 1 UNL1111111111 0.1105 32 H -0.4228 3.7881 1.9503 H 1 UNL1111111111 0.1387 33 H -1.4119 4.2653 -0.2179 H 1 UNL1111111111 0.2540 34 H -3.3336 0.5033 -1.9198 H 1 UNL1111111111 0.1761 35 H -1.6850 -0.7694 2.6150 H 1 UNL1111111111 0.1639 36 H -0.4606 -0.7708 -1.9114 H 1 UNL1111111111 0.1833 37 H 1.8079 2.6797 -0.6472 H 1 UNL1111111111 0.1900 38 H -4.4639 -2.5564 -0.5707 H 1 UNL1111111111 0.3385 39 H -3.0055 -2.7131 2.2937 H 1 UNL1111111111 0.3357 40 H 5.2046 0.0868 0.5703 H 1 UNL1111111111 0.1363 41 H 4.1254 0.1571 2.0119 H 1 UNL1111111111 0.1426 42 H 5.2186 1.5438 1.6352 H 1 UNL1111111111 0.1405 43 H 1.5046 -2.9835 1.0691 H 1 UNL1111111111 0.1405 44 H 0.6359 -4.1690 0.0178 H 1 UNL1111111111 0.1430 45 H -0.2185 -2.6959 0.6115 H 1 UNL1111111111 0.1316 46 H 3.4298 -2.9995 -0.8673 H 1 UNL1111111111 0.1494 47 H 4.7524 -2.8267 0.3473 H 1 UNL1111111111 0.1382 48 H 4.6651 -1.7076 -1.0667 H 1 UNL1111111111 0.1285 @BOND 1 1 16 1 2 1 38 1 3 2 17 1 4 2 39 1 5 3 20 1 6 3 23 1 7 4 21 1 8 4 24 1 9 5 22 1 10 5 25 1 11 6 7 1 12 6 12 1 13 6 33 1 14 7 8 1 15 7 9 1 16 7 26 1 17 8 10 ar 18 8 14 ar 19 9 13 1 20 9 27 1 21 9 28 1 22 10 11 1 23 10 15 ar 24 11 12 1 25 11 29 1 26 11 30 1 27 12 31 1 28 12 32 1 29 13 18 ar 30 13 19 ar 31 14 16 ar 32 14 34 1 33 15 17 ar 34 15 35 1 35 16 17 ar 36 18 21 ar 37 18 36 1 38 19 20 ar 39 19 37 1 40 20 22 ar 41 21 22 ar 42 23 40 1 43 23 41 1 44 23 42 1 45 24 43 1 46 24 44 1 47 24 45 1 48 25 46 1 49 25 47 1 50 25 48 1