@MOLECULE (z)-3-(10-pentadecenyl)-1,2-benzenediol 57 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 6.0280 1.4096 1.0088 O.3 1 UNL1111111111 -0.4261 2 O 8.3070 1.3589 -0.2547 O.3 1 UNL1111111111 -0.4248 3 C -0.7231 0.4365 0.7102 C.3 1 UNL1111111111 -0.2744 4 C 0.6020 0.3683 -0.0609 C.3 1 UNL1111111111 -0.2722 5 C -1.8458 0.9770 -0.1827 C.3 1 UNL1111111111 -0.2719 6 C 1.7132 -0.1866 0.8384 C.3 1 UNL1111111111 -0.2725 7 C -3.1695 1.0423 0.5895 C.3 1 UNL1111111111 -0.2742 8 C 3.0526 -0.2303 0.0950 C.3 1 UNL1111111111 -0.2650 9 C -4.2912 1.5776 -0.3080 C.3 1 UNL1111111111 -0.2610 10 C 4.1452 -0.8343 0.9942 C.3 1 UNL1111111111 -0.2785 11 C -5.6222 1.6314 0.4596 C.3 1 UNL1111111111 -0.2799 12 C 5.4576 -0.8386 0.2782 C.ar 1 UNL1111111111 -0.0821 13 C -6.7132 2.0949 -0.4514 C.2 1 UNL1111111111 -0.1649 14 C -7.4138 -0.2063 -1.1674 C.3 1 UNL1111111111 -0.2821 15 C -7.5006 1.2866 -1.1676 C.2 1 UNL1111111111 -0.1639 16 C 6.3034 0.2686 0.3259 C.ar 1 UNL1111111111 0.1610 17 C -8.3606 -0.7810 -0.1013 C.3 1 UNL1111111111 -0.2613 18 C 5.8498 -1.9610 -0.4633 C.ar 1 UNL1111111111 -0.1772 19 C -8.2526 -2.3097 -0.0444 C.3 1 UNL1111111111 -0.2524 20 C 7.5391 0.2429 -0.3576 C.ar 1 UNL1111111111 0.2028 21 C 7.0627 -1.9791 -1.1378 C.ar 1 UNL1111111111 -0.1305 22 C 7.9191 -0.8759 -1.0885 C.ar 1 UNL1111111111 -0.2694 23 C -9.1849 -2.8801 1.0244 C.3 1 UNL1111111111 -0.4391 24 H -0.9920 -0.5667 1.0911 H 1 UNL1111111111 0.1356 25 H -0.6079 1.0782 1.6041 H 1 UNL1111111111 0.1363 26 H 0.4841 -0.2663 -0.9600 H 1 UNL1111111111 0.1376 27 H 0.8753 1.3727 -0.4346 H 1 UNL1111111111 0.1392 28 H -1.9601 0.3360 -1.0769 H 1 UNL1111111111 0.1373 29 H -1.5780 1.9811 -0.5612 H 1 UNL1111111111 0.1375 30 H 1.8027 0.4336 1.7494 H 1 UNL1111111111 0.1357 31 H 1.4401 -1.2003 1.1869 H 1 UNL1111111111 0.1369 32 H -3.0571 1.6863 1.4815 H 1 UNL1111111111 0.1368 33 H -3.4351 0.0387 0.9710 H 1 UNL1111111111 0.1367 34 H 2.9598 -0.8303 -0.8307 H 1 UNL1111111111 0.1464 35 H 3.3442 0.7822 -0.2384 H 1 UNL1111111111 0.1423 36 H -4.4017 0.9386 -1.2044 H 1 UNL1111111111 0.1402 37 H -4.0336 2.5846 -0.6852 H 1 UNL1111111111 0.1383 38 H 4.2088 -0.2821 1.9540 H 1 UNL1111111111 0.1417 39 H 3.8597 -1.8664 1.2881 H 1 UNL1111111111 0.1561 40 H -5.5309 2.3092 1.3310 H 1 UNL1111111111 0.1411 41 H -5.8538 0.6354 0.8884 H 1 UNL1111111111 0.1471 42 H -6.8262 3.1774 -0.5045 H 1 UNL1111111111 0.1403 43 H -6.3762 -0.5483 -0.9782 H 1 UNL1111111111 0.1472 44 H -7.6765 -0.6097 -2.1653 H 1 UNL1111111111 0.1407 45 H -8.2843 1.6912 -1.8070 H 1 UNL1111111111 0.1400 46 H -9.4020 -0.4791 -0.3188 H 1 UNL1111111111 0.1383 47 H -8.1221 -0.3450 0.8871 H 1 UNL1111111111 0.1400 48 H 5.1913 -2.8257 -0.5079 H 1 UNL1111111111 0.1551 49 H -7.2084 -2.6084 0.1668 H 1 UNL1111111111 0.1337 50 H -8.4983 -2.7440 -1.0318 H 1 UNL1111111111 0.1339 51 H 7.3537 -2.8572 -1.7111 H 1 UNL1111111111 0.1515 52 H 8.8671 -0.8963 -1.6159 H 1 UNL1111111111 0.1596 53 H -10.2309 -2.6260 0.8204 H 1 UNL1111111111 0.1425 54 H -8.9396 -2.4913 2.0190 H 1 UNL1111111111 0.1427 55 H -9.1147 -3.9723 1.0711 H 1 UNL1111111111 0.1399 56 H 5.1150 1.3854 1.3964 H 1 UNL1111111111 0.3173 57 H 9.1516 1.2579 -0.7607 H 1 UNL1111111111 0.3140 @BOND 1 1 16 1 2 1 56 1 3 2 20 1 4 2 57 1 5 3 4 1 6 3 5 1 7 3 24 1 8 3 25 1 9 4 6 1 10 4 26 1 11 4 27 1 12 5 7 1 13 5 28 1 14 5 29 1 15 6 8 1 16 6 30 1 17 6 31 1 18 7 9 1 19 7 32 1 20 7 33 1 21 8 10 1 22 8 34 1 23 8 35 1 24 9 11 1 25 9 36 1 26 9 37 1 27 10 12 1 28 10 38 1 29 10 39 1 30 11 13 1 31 11 40 1 32 11 41 1 33 12 16 ar 34 12 18 ar 35 13 15 2 36 13 42 1 37 14 15 1 38 14 17 1 39 14 43 1 40 14 44 1 41 15 45 1 42 16 20 ar 43 17 19 1 44 17 46 1 45 17 47 1 46 18 21 ar 47 18 48 1 48 19 23 1 49 19 49 1 50 19 50 1 51 20 22 ar 52 21 22 ar 53 21 51 1 54 22 52 1 55 23 53 1 56 23 54 1 57 23 55 1