@MOLECULE 4-tert-amylphenol 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8768 0.0522 0.1759 O.3 1 UNL1111111111 -0.4758 2 C 1.7505 -0.2202 -0.3442 C.3 1 UNL1111111111 0.1014 3 C 2.4210 1.0053 0.3305 C.3 1 UNL1111111111 -0.2691 4 C 0.2443 -0.1539 -0.1870 C.ar 1 UNL1111111111 -0.0701 5 C 2.0794 -0.1873 -1.8549 C.3 1 UNL1111111111 -0.4636 6 C 2.3530 -1.5105 0.2372 C.3 1 UNL1111111111 -0.4597 7 C 2.0734 1.1280 1.8126 C.3 1 UNL1111111111 -0.4373 8 C -0.4413 0.9554 -0.6979 C.ar 1 UNL1111111111 -0.0988 9 C -0.4907 -1.1683 0.4352 C.ar 1 UNL1111111111 -0.1076 10 C -1.8249 1.0639 -0.5943 C.ar 1 UNL1111111111 -0.3031 11 C -1.8743 -1.0893 0.5517 C.ar 1 UNL1111111111 -0.2433 12 C -2.5244 0.0318 0.0325 C.ar 1 UNL1111111111 0.2782 13 H 3.5187 0.9368 0.2060 H 1 UNL1111111111 0.1362 14 H 2.1183 1.9307 -0.1969 H 1 UNL1111111111 0.1345 15 H 1.7647 0.7524 -2.3180 H 1 UNL1111111111 0.1439 16 H 1.5691 -0.9976 -2.3793 H 1 UNL1111111111 0.1511 17 H 3.1536 -0.3010 -2.0282 H 1 UNL1111111111 0.1453 18 H 3.4404 -1.5235 0.1205 H 1 UNL1111111111 0.1458 19 H 1.9588 -2.4003 -0.2662 H 1 UNL1111111111 0.1467 20 H 2.1398 -1.6050 1.3080 H 1 UNL1111111111 0.1484 21 H 2.5443 2.0126 2.2555 H 1 UNL1111111111 0.1386 22 H 2.4128 0.2565 2.3833 H 1 UNL1111111111 0.1428 23 H 0.9899 1.2176 1.9603 H 1 UNL1111111111 0.1520 24 H 0.1113 1.7549 -1.1900 H 1 UNL1111111111 0.1502 25 H 0.0097 -2.0462 0.8421 H 1 UNL1111111111 0.1555 26 H -2.3410 1.9258 -0.9913 H 1 UNL1111111111 0.1582 27 H -2.4506 -1.8761 1.0344 H 1 UNL1111111111 0.1744 28 H -4.2800 0.8642 -0.2150 H 1 UNL1111111111 0.3252 @BOND 1 1 12 1 2 1 28 1 3 2 3 1 4 2 4 1 5 2 5 1 6 2 6 1 7 3 7 1 8 3 13 1 9 3 14 1 10 4 8 ar 11 4 9 ar 12 5 15 1 13 5 16 1 14 5 17 1 15 6 18 1 16 6 19 1 17 6 20 1 18 7 21 1 19 7 22 1 20 7 23 1 21 8 10 ar 22 8 24 1 23 9 11 ar 24 9 25 1 25 10 12 ar 26 10 26 1 27 11 12 ar 28 11 27 1