@MOLECULE 2-butyl-5-pentyl-1,3-benzenediol 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6856 -0.9042 -2.1904 O.3 1 UNL1111111111 -0.4711 2 O -1.6025 2.1786 1.4148 O.3 1 UNL1111111111 -0.4717 3 C 2.5809 0.8453 -0.7772 C.3 1 UNL1111111111 -0.2976 4 C 3.2142 -0.2173 0.1356 C.3 1 UNL1111111111 -0.2574 5 C 1.0892 0.7906 -0.6415 C.ar 1 UNL1111111111 0.1516 6 C 4.7425 -0.1830 0.0289 C.3 1 UNL1111111111 -0.2737 7 C -3.2064 0.5843 -0.1861 C.3 1 UNL1111111111 -0.2483 8 C -1.7269 0.6585 -0.3513 C.ar 1 UNL1111111111 -0.2626 9 C -3.6059 -0.7186 0.5265 C.3 1 UNL1111111111 -0.2712 10 C 5.3718 -1.2474 0.9377 C.3 1 UNL1111111111 -0.2513 11 C -1.0457 -0.0797 -1.3266 C.ar 1 UNL1111111111 0.3402 12 C -0.9329 1.4655 0.4726 C.ar 1 UNL1111111111 0.3434 13 C 0.3439 -0.0266 -1.4870 C.ar 1 UNL1111111111 -0.3441 14 C 0.4551 1.5471 0.3485 C.ar 1 UNL1111111111 -0.4058 15 C -5.1310 -0.8616 0.5874 C.3 1 UNL1111111111 -0.2503 16 C 6.8967 -1.2190 0.8365 C.3 1 UNL1111111111 -0.4410 17 C -5.5252 -2.1622 1.2873 C.3 1 UNL1111111111 -0.4390 18 H 2.8333 -1.2205 -0.1372 H 1 UNL1111111111 0.1455 19 H 2.8989 -0.0504 1.1833 H 1 UNL1111111111 0.1418 20 H 2.8893 0.6753 -1.8286 H 1 UNL1111111111 0.1536 21 H 2.9664 1.8511 -0.5171 H 1 UNL1111111111 0.1506 22 H 5.0558 -0.3493 -1.0187 H 1 UNL1111111111 0.1374 23 H 5.1222 0.8186 0.3031 H 1 UNL1111111111 0.1352 24 H -3.5766 1.4545 0.4013 H 1 UNL1111111111 0.1678 25 H -3.7193 0.6710 -1.1653 H 1 UNL1111111111 0.1349 26 H -3.1568 -1.5936 0.0224 H 1 UNL1111111111 0.1354 27 H -3.1812 -0.7219 1.5496 H 1 UNL1111111111 0.1495 28 H 4.9938 -2.2506 0.6635 H 1 UNL1111111111 0.1356 29 H 5.0598 -1.0830 1.9866 H 1 UNL1111111111 0.1341 30 H 0.8155 -0.6238 -2.2612 H 1 UNL1111111111 0.1818 31 H 1.0336 2.1809 1.0081 H 1 UNL1111111111 0.1659 32 H -5.5695 0.0028 1.1223 H 1 UNL1111111111 0.1370 33 H -5.5600 -0.8360 -0.4315 H 1 UNL1111111111 0.1301 34 H 7.3008 -0.2459 1.1366 H 1 UNL1111111111 0.1418 35 H 7.3519 -1.9774 1.4830 H 1 UNL1111111111 0.1409 36 H 7.2343 -1.4146 -0.1874 H 1 UNL1111111111 0.1425 37 H -5.1405 -2.1968 2.3130 H 1 UNL1111111111 0.1441 38 H -5.1325 -3.0381 0.7591 H 1 UNL1111111111 0.1425 39 H -6.6139 -2.2707 1.3413 H 1 UNL1111111111 0.1392 40 H -2.6652 -0.9267 -2.0363 H 1 UNL1111111111 0.3348 41 H -0.9947 2.7362 1.9587 H 1 UNL1111111111 0.3277 @BOND 1 1 11 1 2 1 40 1 3 2 12 1 4 2 41 1 5 3 4 1 6 3 5 1 7 3 20 1 8 3 21 1 9 4 6 1 10 4 18 1 11 4 19 1 12 5 13 ar 13 5 14 ar 14 6 10 1 15 6 22 1 16 6 23 1 17 7 8 1 18 7 9 1 19 7 24 1 20 7 25 1 21 8 11 ar 22 8 12 ar 23 9 15 1 24 9 26 1 25 9 27 1 26 10 16 1 27 10 28 1 28 10 29 1 29 11 13 ar 30 12 14 ar 31 13 30 1 32 14 31 1 33 15 17 1 34 15 32 1 35 15 33 1 36 16 34 1 37 16 35 1 38 16 36 1 39 17 37 1 40 17 38 1 41 17 39 1