@MOLECULE 2-(12-hydroxy-5,10-dodecadiyn-1-yl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone 52 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0490 -1.9287 0.9636 O.2 1 UNL1111111111 -0.2988 2 O 4.1758 -0.8937 -0.4420 O.2 1 UNL1111111111 -0.2967 3 O 0.3000 -0.1033 2.0671 O.2 1 UNL1111111111 -0.3700 4 O 3.8906 1.6700 -1.4339 O.2 1 UNL1111111111 -0.3653 5 O 0.1722 -2.5974 -1.7067 O.3 1 UNL1111111111 -0.5303 6 C -0.1505 2.4732 1.1443 C.3 1 UNL1111111111 -0.2690 7 C -1.2629 2.3679 0.0867 C.3 1 UNL1111111111 -0.2542 8 C 1.0368 1.6839 0.7035 C.2 1 UNL1111111111 -0.0987 9 C -2.5199 3.0896 0.5851 C.3 1 UNL1111111111 -0.2599 10 C 2.0167 2.1678 -0.0792 C.2 1 UNL1111111111 -0.0575 11 C 1.0654 0.2845 1.2217 C.2 1 UNL1111111111 0.3979 12 C -3.6599 3.0173 -0.4478 C.3 1 UNL1111111111 -0.2347 13 C 3.0933 1.2822 -0.6177 C.2 1 UNL1111111111 0.3924 14 C 2.1304 -0.5987 0.6758 C.2 1 UNL1111111111 0.0239 15 C 3.0965 -0.1250 -0.1315 C.2 1 UNL1111111111 0.0493 16 C 2.1388 3.5863 -0.5004 C.3 1 UNL1111111111 -0.4364 17 C -4.0714 1.6667 -0.6867 C.1 1 UNL1111111111 -0.1169 18 C -4.6718 -0.8497 -1.2350 C.3 1 UNL1111111111 -0.2387 19 C -4.9395 -1.6854 0.0297 C.3 1 UNL1111111111 -0.2393 20 C -4.3749 0.5165 -0.9177 C.1 1 UNL1111111111 -0.0964 21 C -3.7035 -1.7119 0.9452 C.3 1 UNL1111111111 -0.2465 22 C 2.6039 -2.2414 2.2444 C.3 1 UNL1111111111 -0.1941 23 C 4.0558 -1.5097 -1.7272 C.3 1 UNL1111111111 -0.1972 24 C -2.5792 -2.3552 0.3337 C.1 1 UNL1111111111 -0.0437 25 C -1.5955 -2.8603 -0.1627 C.1 1 UNL1111111111 -0.1824 26 C -0.4216 -3.4553 -0.7415 C.3 1 UNL1111111111 0.0399 27 H 0.1084 3.5357 1.3240 H 1 UNL1111111111 0.1476 28 H -0.5309 2.1013 2.1221 H 1 UNL1111111111 0.1693 29 H -0.9226 2.7905 -0.8758 H 1 UNL1111111111 0.1417 30 H -1.4984 1.3045 -0.1240 H 1 UNL1111111111 0.1557 31 H -2.2918 4.1486 0.8071 H 1 UNL1111111111 0.1322 32 H -2.8598 2.6404 1.5394 H 1 UNL1111111111 0.1452 33 H -3.3334 3.4919 -1.4037 H 1 UNL1111111111 0.1580 34 H -4.5190 3.6327 -0.0931 H 1 UNL1111111111 0.1539 35 H 2.9356 4.0938 0.0718 H 1 UNL1111111111 0.1684 36 H 1.2153 4.1639 -0.3648 H 1 UNL1111111111 0.1597 37 H 2.4226 3.6745 -1.5635 H 1 UNL1111111111 0.1768 38 H -5.5436 -0.9196 -1.9258 H 1 UNL1111111111 0.1566 39 H -3.8133 -1.3002 -1.7972 H 1 UNL1111111111 0.1734 40 H -5.7999 -1.2638 0.5819 H 1 UNL1111111111 0.1412 41 H -5.2280 -2.7153 -0.2499 H 1 UNL1111111111 0.1426 42 H -3.9541 -2.2034 1.9136 H 1 UNL1111111111 0.1600 43 H -3.4293 -0.6602 1.2180 H 1 UNL1111111111 0.1744 44 H 2.4442 -3.3252 2.3089 H 1 UNL1111111111 0.1478 45 H 2.0586 -1.7224 3.0394 H 1 UNL1111111111 0.1425 46 H 3.6721 -2.0017 2.2606 H 1 UNL1111111111 0.1366 47 H 4.9929 -2.0722 -1.8030 H 1 UNL1111111111 0.1487 48 H 3.9954 -0.7533 -2.5158 H 1 UNL1111111111 0.1416 49 H 3.1913 -2.1848 -1.7457 H 1 UNL1111111111 0.1457 50 H 0.3469 -3.6916 0.0305 H 1 UNL1111111111 0.1400 51 H -0.6407 -4.3763 -1.3271 H 1 UNL1111111111 0.1527 52 H 0.4116 -1.7493 -1.2780 H 1 UNL1111111111 0.3109 @BOND 1 1 14 1 2 1 22 1 3 2 15 1 4 2 23 1 5 3 11 2 6 4 13 2 7 5 26 1 8 5 52 1 9 6 7 1 10 6 8 1 11 6 27 1 12 6 28 1 13 7 9 1 14 7 29 1 15 7 30 1 16 8 10 2 17 8 11 1 18 9 12 1 19 9 31 1 20 9 32 1 21 10 13 1 22 10 16 1 23 11 14 1 24 12 17 1 25 12 33 1 26 12 34 1 27 13 15 1 28 14 15 2 29 16 35 1 30 16 36 1 31 16 37 1 32 17 20 3 33 18 19 1 34 18 20 1 35 18 38 1 36 18 39 1 37 19 21 1 38 19 40 1 39 19 41 1 40 21 24 1 41 21 42 1 42 21 43 1 43 22 44 1 44 22 45 1 45 22 46 1 46 23 47 1 47 23 48 1 48 23 49 1 49 24 25 3 50 25 26 1 51 26 50 1 52 26 51 1