@MOLECULE 3-(8-cyclohexyloctyl)-4-hydroxy-1,2-naphthalenedione 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.6863 1.6414 1.4733 O.2 1 UNL1111111111 -0.4362 2 O 3.7151 -2.5528 -0.5403 O.2 1 UNL1111111111 -0.3451 3 O 6.5159 -2.4612 -0.3913 O.2 1 UNL1111111111 -0.3421 4 C -7.5963 0.4633 -0.0727 C.3 1 UNL1111111111 -0.0947 5 C -8.0652 -1.0015 -0.1376 C.3 1 UNL1111111111 -0.2764 6 C -8.6109 1.3643 -0.8011 C.3 1 UNL1111111111 -0.2804 7 C -6.2050 0.6242 -0.7117 C.3 1 UNL1111111111 -0.2957 8 C -9.4571 -1.1483 0.4905 C.3 1 UNL1111111111 -0.2644 9 C -10.0043 1.2204 -0.1760 C.3 1 UNL1111111111 -0.2632 10 C -10.4688 -0.2413 -0.2222 C.3 1 UNL1111111111 -0.2631 11 C -5.1062 0.0490 0.1900 C.3 1 UNL1111111111 -0.2695 12 C -3.7240 0.2202 -0.4530 C.3 1 UNL1111111111 -0.2711 13 C -2.6292 -0.3016 0.4864 C.3 1 UNL1111111111 -0.2722 14 C -1.2372 -0.0671 -0.1136 C.3 1 UNL1111111111 -0.2724 15 C -0.1460 -0.5117 0.8689 C.3 1 UNL1111111111 -0.2763 16 C 1.2456 -0.3088 0.2603 C.3 1 UNL1111111111 -0.2601 17 C 2.3382 -0.7596 1.2466 C.3 1 UNL1111111111 -0.2296 18 C 3.6857 -0.5133 0.6607 C.2 1 UNL1111111111 -0.2333 19 C 4.3227 0.6764 0.7675 C.2 1 UNL1111111111 0.2641 20 C 4.3057 -1.6054 -0.0943 C.2 1 UNL1111111111 0.3679 21 C 5.6221 0.9634 0.1524 C.ar 1 UNL1111111111 -0.0513 22 C 6.3605 -0.1080 -0.3740 C.ar 1 UNL1111111111 -0.1354 23 C 5.8197 -1.4856 -0.3036 C.2 1 UNL1111111111 0.3361 24 C 6.1333 2.2566 0.0636 C.ar 1 UNL1111111111 -0.1609 25 C 7.6057 0.1119 -0.9559 C.ar 1 UNL1111111111 -0.0745 26 C 7.3773 2.4765 -0.5298 C.ar 1 UNL1111111111 -0.1073 27 C 8.1149 1.4088 -1.0348 C.ar 1 UNL1111111111 -0.1514 28 H -7.5448 0.7772 0.9970 H 1 UNL1111111111 0.1331 29 H -8.0863 -1.3449 -1.1878 H 1 UNL1111111111 0.1372 30 H -7.3446 -1.6567 0.3842 H 1 UNL1111111111 0.1318 31 H -8.2842 2.4186 -0.7552 H 1 UNL1111111111 0.1298 32 H -8.6485 1.0990 -1.8733 H 1 UNL1111111111 0.1372 33 H -6.1832 0.1346 -1.7021 H 1 UNL1111111111 0.1391 34 H -6.0037 1.6957 -0.9019 H 1 UNL1111111111 0.1374 35 H -9.7876 -2.2013 0.4373 H 1 UNL1111111111 0.1287 36 H -9.4147 -0.8943 1.5658 H 1 UNL1111111111 0.1344 37 H -9.9871 1.5778 0.8703 H 1 UNL1111111111 0.1345 38 H -10.7265 1.8653 -0.7081 H 1 UNL1111111111 0.1281 39 H -10.5890 -0.5648 -1.2727 H 1 UNL1111111111 0.1352 40 H -11.4645 -0.3395 0.2458 H 1 UNL1111111111 0.1274 41 H -5.2975 -1.0217 0.3899 H 1 UNL1111111111 0.1371 42 H -5.1293 0.5498 1.1761 H 1 UNL1111111111 0.1357 43 H -3.6842 -0.3169 -1.4190 H 1 UNL1111111111 0.1368 44 H -3.5451 1.2851 -0.6897 H 1 UNL1111111111 0.1352 45 H -2.7056 0.1997 1.4694 H 1 UNL1111111111 0.1351 46 H -2.7805 -1.3797 0.6831 H 1 UNL1111111111 0.1369 47 H -1.1377 -0.6183 -1.0675 H 1 UNL1111111111 0.1387 48 H -1.1062 1.0016 -0.3655 H 1 UNL1111111111 0.1347 49 H -0.2903 -1.5749 1.1373 H 1 UNL1111111111 0.1391 50 H -0.2340 0.0567 1.8136 H 1 UNL1111111111 0.1347 51 H 1.3963 0.7541 -0.0044 H 1 UNL1111111111 0.1396 52 H 1.3385 -0.8807 -0.6831 H 1 UNL1111111111 0.1477 53 H 2.2256 -0.2168 2.2088 H 1 UNL1111111111 0.1533 54 H 2.2054 -1.8364 1.4863 H 1 UNL1111111111 0.1557 55 H 5.5683 3.1081 0.4405 H 1 UNL1111111111 0.1493 56 H 8.1780 -0.7343 -1.3476 H 1 UNL1111111111 0.1768 57 H 4.2474 2.4442 1.6193 H 1 UNL1111111111 0.3239 58 H 7.7712 3.4907 -0.5988 H 1 UNL1111111111 0.1551 59 H 9.0877 1.5839 -1.4925 H 1 UNL1111111111 0.1593 @BOND 1 1 19 1 2 1 57 1 3 2 20 2 4 3 23 2 5 4 5 1 6 4 6 1 7 4 7 1 8 4 28 1 9 5 8 1 10 5 29 1 11 5 30 1 12 6 9 1 13 6 31 1 14 6 32 1 15 7 11 1 16 7 33 1 17 7 34 1 18 8 10 1 19 8 35 1 20 8 36 1 21 9 10 1 22 9 37 1 23 9 38 1 24 10 39 1 25 10 40 1 26 11 12 1 27 11 41 1 28 11 42 1 29 12 13 1 30 12 43 1 31 12 44 1 32 13 14 1 33 13 45 1 34 13 46 1 35 14 15 1 36 14 47 1 37 14 48 1 38 15 16 1 39 15 49 1 40 15 50 1 41 16 17 1 42 16 51 1 43 16 52 1 44 17 18 1 45 17 53 1 46 17 54 1 47 18 19 2 48 18 20 1 49 19 21 1 50 20 23 1 51 21 22 ar 52 21 24 ar 53 22 23 1 54 22 25 ar 55 24 26 ar 56 24 55 1 57 25 27 ar 58 25 56 1 59 26 27 ar 60 26 58 1 61 27 59 1