@MOLECULE hexylbenzene 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.1242 -0.0068 0.6766 C.3 1 UNL1111111111 -0.2722 2 C -0.7270 -0.0017 0.0470 C.3 1 UNL1111111111 -0.2595 3 C -3.2052 0.0067 -0.4116 C.3 1 UNL1111111111 -0.2713 4 C 0.3606 -0.0126 1.1337 C.3 1 UNL1111111111 -0.2929 5 C -4.6066 -0.0032 0.2132 C.3 1 UNL1111111111 -0.2528 6 C 1.7133 -0.0061 0.4905 C.ar 1 UNL1111111111 0.0228 7 C -5.6862 0.0084 -0.8691 C.3 1 UNL1111111111 -0.4398 8 C 2.3449 -1.2105 0.1725 C.ar 1 UNL1111111111 -0.1822 9 C 2.3410 1.2053 0.1911 C.ar 1 UNL1111111111 -0.1823 10 C 3.5956 -1.2004 -0.4400 C.ar 1 UNL1111111111 -0.1343 11 C 3.5920 1.2117 -0.4213 C.ar 1 UNL1111111111 -0.1341 12 C 4.2215 0.0091 -0.7376 C.ar 1 UNL1111111111 -0.1681 13 H -2.2473 -0.8970 1.3213 H 1 UNL1111111111 0.1364 14 H -2.2454 0.8690 1.3408 H 1 UNL1111111111 0.1364 15 H -0.6011 0.8863 -0.6011 H 1 UNL1111111111 0.1417 16 H -0.6022 -0.8779 -0.6173 H 1 UNL1111111111 0.1417 17 H -3.0836 -0.8665 -1.0795 H 1 UNL1111111111 0.1376 18 H -3.0855 0.8981 -1.0558 H 1 UNL1111111111 0.1376 19 H 0.2364 0.8614 1.8039 H 1 UNL1111111111 0.1491 20 H 0.2365 -0.9000 1.7862 H 1 UNL1111111111 0.1491 21 H -4.7277 -0.8943 0.8575 H 1 UNL1111111111 0.1332 22 H -4.7306 0.8712 0.8794 H 1 UNL1111111111 0.1332 23 H -6.6896 0.0003 -0.4295 H 1 UNL1111111111 0.1399 24 H -5.6106 0.9006 -1.5007 H 1 UNL1111111111 0.1427 25 H -5.6064 -0.8665 -1.5237 H 1 UNL1111111111 0.1427 26 H 1.8587 -2.1567 0.4012 H 1 UNL1111111111 0.1518 27 H 1.8511 2.1451 0.4348 H 1 UNL1111111111 0.1516 28 H 4.0856 -2.1397 -0.6860 H 1 UNL1111111111 0.1467 29 H 4.0781 2.1571 -0.6526 H 1 UNL1111111111 0.1469 30 H 5.1982 0.0140 -1.2151 H 1 UNL1111111111 0.1483 @BOND 1 1 2 1 2 1 3 1 3 1 13 1 4 1 14 1 5 2 4 1 6 2 15 1 7 2 16 1 8 3 5 1 9 3 17 1 10 3 18 1 11 4 6 1 12 4 19 1 13 4 20 1 14 5 7 1 15 5 21 1 16 5 22 1 17 6 8 ar 18 6 9 ar 19 7 23 1 20 7 24 1 21 7 25 1 22 8 10 ar 23 8 26 1 24 9 11 ar 25 9 27 1 26 10 12 ar 27 10 28 1 28 11 12 ar 29 11 29 1 30 12 30 1