@MOLECULE octylbenzene 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.0806 -0.0101 0.1877 C.3 1 UNL111111111 -0.2713 2 C -0.9450 0.0168 -0.8438 C.3 1 UNL111111111 -0.2693 3 C -3.4466 0.0171 -0.5089 C.3 1 UNL111111111 -0.2765 4 C 0.4181 -0.0078 -0.1436 C.3 1 UNL111111111 -0.2599 5 C -4.5815 -0.0117 0.5227 C.3 1 UNL111111111 -0.2721 6 C 1.5591 0.0127 -1.1740 C.3 1 UNL111111111 -0.2939 7 C -5.9495 0.0105 -0.1721 C.3 1 UNL111111111 -0.2515 8 C 2.8777 0.0061 -0.4634 C.ar 1 UNL111111111 0.0230 9 C -7.0825 -0.0169 0.8539 C.3 1 UNL111111111 -0.4397 10 C 3.4882 1.2112 -0.1069 C.ar 1 UNL111111111 -0.1822 11 C 3.4934 -1.2055 -0.1408 C.ar 1 UNL111111111 -0.1825 12 C 4.7068 1.1997 0.5662 C.ar 1 UNL111111111 -0.1343 13 C 4.7124 -1.2117 0.5325 C.ar 1 UNL111111111 -0.1340 14 C 5.3216 -0.0093 0.8871 C.ar 1 UNL111111111 -0.1682 15 H -1.9962 -0.9132 0.8208 H 1 UNL111111111 0.1375 16 H -1.9886 0.8515 0.8751 H 1 UNL111111111 0.1376 17 H -1.0310 0.9192 -1.4774 H 1 UNL111111111 0.1364 18 H -1.0363 -0.8462 -1.5293 H 1 UNL111111111 0.1364 19 H -3.5323 0.9209 -1.1404 H 1 UNL111111111 0.1359 20 H -3.5388 -0.8437 -1.1968 H 1 UNL111111111 0.1360 21 H 0.5141 0.8569 0.5400 H 1 UNL111111111 0.1418 22 H 0.5056 -0.9070 0.4953 H 1 UNL111111111 0.1416 23 H -4.4927 0.8508 1.2090 H 1 UNL111111111 0.1368 24 H -4.4950 -0.9132 1.1573 H 1 UNL111111111 0.1368 25 H 1.4715 -0.8578 -1.8548 H 1 UNL111111111 0.1491 26 H 1.4654 0.9034 -1.8268 H 1 UNL111111111 0.1492 27 H -6.0366 0.9121 -0.8073 H 1 UNL111111111 0.1334 28 H -6.0397 -0.8531 -0.8577 H 1 UNL111111111 0.1334 29 H -7.0350 0.8471 1.5261 H 1 UNL111111111 0.1424 30 H -8.0623 0.0003 0.3643 H 1 UNL111111111 0.1401 31 H -7.0397 -0.9194 1.4737 H 1 UNL111111111 0.1424 32 H 3.0105 2.1566 -0.3537 H 1 UNL111111111 0.1518 33 H 3.0188 -2.1452 -0.4140 H 1 UNL111111111 0.1516 34 H 5.1812 2.1393 0.8427 H 1 UNL111111111 0.1468 35 H 5.1896 -2.1571 0.7820 H 1 UNL111111111 0.1469 36 H 6.2735 -0.0143 1.4122 H 1 UNL111111111 0.1483 @BOND 1 1 2 1 2 1 3 1 3 1 15 1 4 1 16 1 5 2 4 1 6 2 17 1 7 2 18 1 8 3 5 1 9 3 19 1 10 3 20 1 11 4 6 1 12 4 21 1 13 4 22 1 14 5 7 1 15 5 23 1 16 5 24 1 17 6 8 1 18 6 25 1 19 6 26 1 20 7 9 1 21 7 27 1 22 7 28 1 23 8 10 ar 24 8 11 ar 25 9 29 1 26 9 30 1 27 9 31 1 28 10 12 ar 29 10 32 1 30 11 13 ar 31 11 33 1 32 12 14 ar 33 12 34 1 34 13 14 ar 35 13 35 1 36 14 36 1