@MOLECULE eicosa-11-en-14-ynoic acid 56 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -11.3287 0.9693 0.4280 O.3 1 UNL1111111111 -0.5754 2 O -10.4962 -0.9095 -0.4287 O.2 1 UNL1111111111 -0.5056 3 C -3.9806 0.4988 0.0825 C.3 1 UNL1111111111 -0.2761 4 C -2.7855 -0.3591 -0.3528 C.3 1 UNL1111111111 -0.2727 5 C -5.3075 -0.1976 -0.2488 C.3 1 UNL1111111111 -0.2700 6 C -1.4660 0.3555 -0.0329 C.3 1 UNL1111111111 -0.2749 7 C -6.4894 0.6767 0.1912 C.3 1 UNL1111111111 -0.2716 8 C -0.2650 -0.5025 -0.4504 C.3 1 UNL1111111111 -0.2635 9 C -7.8207 -0.0149 -0.1185 C.3 1 UNL1111111111 -0.2563 10 C 1.0526 0.2187 -0.1232 C.3 1 UNL1111111111 -0.2779 11 C -8.9944 0.8626 0.3259 C.3 1 UNL1111111111 -0.3482 12 C 2.2153 -0.6174 -0.5489 C.2 1 UNL1111111111 -0.1622 13 C 10.0669 0.7208 0.3752 C.3 1 UNL1111111111 -0.2722 14 C -10.2899 0.1739 0.0486 C.2 1 UNL1111111111 0.6470 15 C 8.7598 0.0705 -0.0915 C.3 1 UNL1111111111 -0.2605 16 C 10.9787 1.0217 -0.8221 C.3 1 UNL1111111111 -0.2487 17 C 3.1706 -1.0135 0.2955 C.2 1 UNL1111111111 -0.1543 18 C 7.8454 -0.2353 1.1107 C.3 1 UNL1111111111 -0.2367 19 C 4.3237 -1.8729 -0.1352 C.3 1 UNL1111111111 -0.2376 20 C 12.2834 1.6724 -0.3629 C.3 1 UNL1111111111 -0.4411 21 C 6.6108 -0.8178 0.6742 C.1 1 UNL1111111111 -0.1008 22 C 5.5668 -1.3083 0.3031 C.1 1 UNL1111111111 -0.1090 23 H -3.9383 1.4850 -0.4157 H 1 UNL1111111111 0.1359 24 H -3.9215 0.7040 1.1677 H 1 UNL1111111111 0.1363 25 H -2.8182 -1.3405 0.1560 H 1 UNL1111111111 0.1381 26 H -2.8472 -0.5739 -1.4354 H 1 UNL1111111111 0.1375 27 H -5.3690 -0.4039 -1.3337 H 1 UNL1111111111 0.1392 28 H -5.3554 -1.1834 0.2504 H 1 UNL1111111111 0.1397 29 H -1.4306 1.3327 -0.5501 H 1 UNL1111111111 0.1366 30 H -1.4114 0.5820 1.0483 H 1 UNL1111111111 0.1372 31 H -6.4409 1.6575 -0.3186 H 1 UNL1111111111 0.1374 32 H -6.4144 0.8919 1.2739 H 1 UNL1111111111 0.1376 33 H -0.3169 -0.7299 -1.5311 H 1 UNL1111111111 0.1371 34 H -0.2950 -1.4797 0.0673 H 1 UNL1111111111 0.1408 35 H -7.8986 -0.2373 -1.2013 H 1 UNL1111111111 0.1531 36 H -7.8692 -1.0018 0.3844 H 1 UNL1111111111 0.1543 37 H 1.0885 1.2005 -0.6399 H 1 UNL1111111111 0.1477 38 H 1.0936 0.4538 0.9589 H 1 UNL1111111111 0.1441 39 H -8.9211 1.1048 1.4093 H 1 UNL1111111111 0.1814 40 H -8.9714 1.8481 -0.1893 H 1 UNL1111111111 0.1814 41 H 2.2267 -0.8827 -1.6044 H 1 UNL1111111111 0.1442 42 H 9.8521 1.6541 0.9284 H 1 UNL1111111111 0.1372 43 H 10.5897 0.0579 1.0897 H 1 UNL1111111111 0.1368 44 H 8.9703 -0.8620 -0.6478 H 1 UNL1111111111 0.1425 45 H 8.2326 0.7343 -0.8024 H 1 UNL1111111111 0.1439 46 H 11.1960 0.0893 -1.3767 H 1 UNL1111111111 0.1344 47 H 10.4572 1.6853 -1.5379 H 1 UNL1111111111 0.1349 48 H 3.1738 -0.7418 1.3494 H 1 UNL1111111111 0.1510 49 H 7.6530 0.7013 1.6851 H 1 UNL1111111111 0.1588 50 H 8.3708 -0.9142 1.8220 H 1 UNL1111111111 0.1575 51 H 4.3322 -2.0154 -1.2436 H 1 UNL1111111111 0.1636 52 H 4.1896 -2.9023 0.2844 H 1 UNL1111111111 0.1678 53 H 12.0985 2.6177 0.1594 H 1 UNL1111111111 0.1421 54 H 12.8376 1.0206 0.3216 H 1 UNL1111111111 0.1420 55 H 12.9395 1.8899 -1.2131 H 1 UNL1111111111 0.1401 56 H -12.2162 0.5673 0.2702 H 1 UNL1111111111 0.3559 @BOND 1 1 14 1 2 1 56 1 3 2 14 2 4 3 4 1 5 3 5 1 6 3 23 1 7 3 24 1 8 4 6 1 9 4 25 1 10 4 26 1 11 5 7 1 12 5 27 1 13 5 28 1 14 6 8 1 15 6 29 1 16 6 30 1 17 7 9 1 18 7 31 1 19 7 32 1 20 8 10 1 21 8 33 1 22 8 34 1 23 9 11 1 24 9 35 1 25 9 36 1 26 10 12 1 27 10 37 1 28 10 38 1 29 11 14 1 30 11 39 1 31 11 40 1 32 12 17 2 33 12 41 1 34 13 15 1 35 13 16 1 36 13 42 1 37 13 43 1 38 15 18 1 39 15 44 1 40 15 45 1 41 16 20 1 42 16 46 1 43 16 47 1 44 17 19 1 45 17 48 1 46 18 21 1 47 18 49 1 48 18 50 1 49 19 22 1 50 19 51 1 51 19 52 1 52 20 53 1 53 20 54 1 54 20 55 1 55 21 22 3