@MOLECULE 2-dodecyl-6-methoxy-1,4-benzoquinone 52 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.0749 1.7884 -0.6890 O.2 1 UNL1111111111 -0.3901 2 O 6.5231 1.7195 0.8213 O.2 1 UNL1111111111 -0.2698 3 O 6.0850 -2.8811 0.8751 O.2 1 UNL1111111111 -0.4052 4 C -3.6191 -0.0554 0.1714 C.3 1 UNL1111111111 -0.2730 5 C -2.4612 -0.1978 -0.8245 C.3 1 UNL1111111111 -0.2725 6 C -4.9682 -0.0917 -0.5577 C.3 1 UNL1111111111 -0.2720 7 C -1.1123 -0.1654 -0.0949 C.3 1 UNL1111111111 -0.2728 8 C -6.1262 0.0470 0.4387 C.3 1 UNL1111111111 -0.2720 9 C 0.0456 -0.2896 -1.0929 C.3 1 UNL1111111111 -0.2739 10 C -7.4755 0.0109 -0.2902 C.3 1 UNL1111111111 -0.2747 11 C 1.3891 -0.3291 -0.3562 C.3 1 UNL1111111111 -0.2565 12 C -8.6335 0.1492 0.7061 C.3 1 UNL1111111111 -0.2721 13 C 2.5502 -0.4565 -1.3574 C.3 1 UNL1111111111 -0.2813 14 C -9.9843 0.1137 -0.0211 C.3 1 UNL1111111111 -0.2510 15 C 3.8427 -0.5587 -0.6193 C.2 1 UNL1111111111 -0.0569 16 C -11.1404 0.2523 0.9695 C.3 1 UNL1111111111 -0.4397 17 C 4.5239 0.7320 -0.3192 C.2 1 UNL1111111111 0.3925 18 C 4.3663 -1.7257 -0.2269 C.2 1 UNL1111111111 -0.2352 19 C 5.8016 0.6425 0.4619 C.2 1 UNL1111111111 0.1660 20 C 5.6408 -1.8088 0.5365 C.2 1 UNL1111111111 0.4632 21 C 6.3097 -0.5448 0.8511 C.2 1 UNL1111111111 -0.3872 22 C 6.0615 3.0176 0.4567 C.3 1 UNL1111111111 -0.1986 23 H -3.5737 -0.8643 0.9241 H 1 UNL1111111111 0.1370 24 H -3.5192 0.8905 0.7358 H 1 UNL1111111111 0.1372 25 H -2.5635 -1.1420 -1.3912 H 1 UNL1111111111 0.1361 26 H -2.5061 0.6133 -1.5751 H 1 UNL1111111111 0.1371 27 H -5.0153 0.7194 -1.3081 H 1 UNL1111111111 0.1365 28 H -5.0676 -1.0361 -1.1245 H 1 UNL1111111111 0.1364 29 H -1.0159 0.7730 0.4828 H 1 UNL1111111111 0.1386 30 H -1.0653 -0.9846 0.6470 H 1 UNL1111111111 0.1377 31 H -6.0273 0.9914 1.0056 H 1 UNL1111111111 0.1367 32 H -6.0797 -0.7640 1.1892 H 1 UNL1111111111 0.1367 33 H -0.0799 -1.2019 -1.7058 H 1 UNL1111111111 0.1371 34 H 0.0249 0.5589 -1.8026 H 1 UNL1111111111 0.1395 35 H -7.5746 -0.9334 -0.8571 H 1 UNL1111111111 0.1363 36 H -7.5225 0.8219 -1.0405 H 1 UNL1111111111 0.1363 37 H 1.5157 0.5881 0.2508 H 1 UNL1111111111 0.1447 38 H 1.4076 -1.1754 0.3565 H 1 UNL1111111111 0.1423 39 H -8.5352 1.0931 1.2738 H 1 UNL1111111111 0.1365 40 H -8.5875 -0.6614 1.4567 H 1 UNL1111111111 0.1366 41 H 2.3931 -1.3387 -2.0112 H 1 UNL1111111111 0.1554 42 H 2.5507 0.4213 -2.0408 H 1 UNL1111111111 0.1681 43 H -10.0309 0.9246 -0.7723 H 1 UNL1111111111 0.1335 44 H -10.0838 -0.8309 -0.5883 H 1 UNL1111111111 0.1336 45 H -11.1366 -0.5593 1.7055 H 1 UNL1111111111 0.1424 46 H -11.0843 1.1976 1.5207 H 1 UNL1111111111 0.1423 47 H -12.1081 0.2272 0.4566 H 1 UNL1111111111 0.1401 48 H 3.8915 -2.6867 -0.4350 H 1 UNL1111111111 0.1864 49 H 7.2397 -0.6183 1.4163 H 1 UNL1111111111 0.2032 50 H 6.8419 3.6567 0.8930 H 1 UNL1111111111 0.1519 51 H 5.0863 3.2325 0.9054 H 1 UNL1111111111 0.1481 52 H 6.0268 3.1334 -0.6315 H 1 UNL1111111111 0.1488 @BOND 1 1 17 2 2 2 19 1 3 2 22 1 4 3 20 2 5 4 5 1 6 4 6 1 7 4 23 1 8 4 24 1 9 5 7 1 10 5 25 1 11 5 26 1 12 6 8 1 13 6 27 1 14 6 28 1 15 7 9 1 16 7 29 1 17 7 30 1 18 8 10 1 19 8 31 1 20 8 32 1 21 9 11 1 22 9 33 1 23 9 34 1 24 10 12 1 25 10 35 1 26 10 36 1 27 11 13 1 28 11 37 1 29 11 38 1 30 12 14 1 31 12 39 1 32 12 40 1 33 13 15 1 34 13 41 1 35 13 42 1 36 14 16 1 37 14 43 1 38 14 44 1 39 15 17 1 40 15 18 2 41 16 45 1 42 16 46 1 43 16 47 1 44 17 19 1 45 18 20 1 46 18 48 1 47 19 21 2 48 20 21 1 49 21 49 1 50 22 50 1 51 22 51 1 52 22 52 1