@MOLECULE retene 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.0138 -0.5477 0.0006 C.ar 1 UNL1111111111 -0.0327 2 C 4.3093 -0.2416 -0.0002 C.3 1 UNL1111111111 -0.0781 3 C 2.8059 -0.3414 -0.0003 C.ar 1 UNL1111111111 0.0122 4 C 0.6189 0.7086 -0.0010 C.ar 1 UNL1111111111 0.0101 5 C -1.4625 -0.6138 -0.0005 C.ar 1 UNL1111111111 0.0167 6 C -2.2141 0.5791 0.0006 C.ar 1 UNL1111111111 -0.0490 7 C 2.0256 0.7979 -0.0008 C.ar 1 UNL1111111111 -0.1837 8 C 0.8000 -1.7019 0.0022 C.ar 1 UNL1111111111 -0.1354 9 C 2.1767 -1.6036 0.0014 C.ar 1 UNL1111111111 -0.1776 10 C -0.1726 1.9074 -0.0019 C.ar 1 UNL1111111111 -0.1657 11 C -1.5269 1.8418 -0.0007 C.ar 1 UNL1111111111 -0.1382 12 C -3.6327 0.5164 0.0016 C.ar 1 UNL1111111111 0.0510 13 C 4.7880 0.4874 1.2637 C.3 1 UNL1111111111 -0.4458 14 C 4.7885 0.4891 -1.2629 C.3 1 UNL1111111111 -0.4457 15 C -2.1447 -1.8498 -0.0020 C.ar 1 UNL1111111111 -0.1822 16 C -4.2722 -0.7099 -0.0002 C.ar 1 UNL1111111111 -0.1978 17 C -3.5219 -1.8962 -0.0023 C.ar 1 UNL1111111111 -0.1222 18 C -4.4493 1.7655 0.0026 C.3 1 UNL1111111111 -0.4555 19 H 4.7563 -1.2689 -0.0008 H 1 UNL1111111111 0.1373 20 H 2.4930 1.7807 -0.0018 H 1 UNL1111111111 0.1554 21 H 0.3347 -2.6871 0.0020 H 1 UNL1111111111 0.1537 22 H 2.7852 -2.5062 0.0026 H 1 UNL1111111111 0.1520 23 H 0.3477 2.8652 -0.0031 H 1 UNL1111111111 0.1556 24 H -2.1223 2.7545 -0.0020 H 1 UNL1111111111 0.1540 25 H 4.4402 1.5262 1.2917 H 1 UNL1111111111 0.1476 26 H 5.8811 0.5044 1.3194 H 1 UNL1111111111 0.1428 27 H 4.4136 -0.0060 2.1681 H 1 UNL1111111111 0.1488 28 H 4.4143 -0.0030 -2.1683 H 1 UNL1111111111 0.1488 29 H 5.8819 0.5050 -1.3185 H 1 UNL1111111111 0.1427 30 H 4.4421 1.5287 -1.2900 H 1 UNL1111111111 0.1476 31 H -1.5766 -2.7789 -0.0035 H 1 UNL1111111111 0.1550 32 H -5.3568 -0.7687 -0.0000 H 1 UNL1111111111 0.1519 33 H -4.0398 -2.8526 -0.0035 H 1 UNL1111111111 0.1485 34 H -5.5296 1.5652 0.0019 H 1 UNL1111111111 0.1547 35 H -4.2407 2.3789 0.8919 H 1 UNL1111111111 0.1617 36 H -4.2406 2.3804 -0.8856 H 1 UNL1111111111 0.1617 @BOND 1 1 4 ar 2 1 5 ar 3 1 8 ar 4 2 3 1 5 2 13 1 6 2 14 1 7 2 19 1 8 3 7 ar 9 3 9 ar 10 4 7 ar 11 4 10 ar 12 5 6 ar 13 5 15 ar 14 6 11 ar 15 6 12 ar 16 7 20 1 17 8 9 ar 18 8 21 1 19 9 22 1 20 10 11 ar 21 10 23 1 22 11 24 1 23 12 16 ar 24 12 18 1 25 13 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 14 30 1 31 15 17 ar 32 15 31 1 33 16 17 ar 34 16 32 1 35 17 33 1 36 18 34 1 37 18 35 1 38 18 36 1