@MOLECULE 2-tert-butyl-4,6-dimethylphenol 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5747 2.0908 -0.0009 O.3 1 UNL1111111111 -0.4771 2 C 1.9666 -0.3210 0.0000 C.3 1 UNL1111111111 0.1393 3 C 0.4537 -0.2569 0.0007 C.ar 1 UNL1111111111 -0.0703 4 C 2.4943 -1.7700 0.0003 C.3 1 UNL1111111111 -0.4644 5 C 2.5026 0.3750 1.2644 C.3 1 UNL1111111111 -0.4587 6 C 2.5012 0.3732 -1.2661 C.3 1 UNL1111111111 -0.4587 7 C -0.2169 0.9801 -0.0001 C.ar 1 UNL1111111111 0.2120 8 C -0.3379 -1.4022 0.0024 C.ar 1 UNL1111111111 -0.1754 9 C -1.6126 1.0834 0.0004 C.ar 1 UNL1111111111 -0.0939 10 C -1.7347 -1.3289 0.0041 C.ar 1 UNL1111111111 -0.0021 11 C -2.3673 -0.0890 0.0023 C.ar 1 UNL1111111111 -0.1665 12 C -2.2823 2.4151 -0.0010 C.3 1 UNL1111111111 -0.4401 13 C -2.5353 -2.5880 -0.0033 C.3 1 UNL1111111111 -0.4430 14 H 3.5897 -1.7825 -0.0012 H 1 UNL1111111111 0.1464 15 H 2.1656 -2.3167 0.8899 H 1 UNL1111111111 0.1446 16 H 2.1630 -2.3182 -0.8874 H 1 UNL1111111111 0.1446 17 H 2.0698 -0.0641 2.1688 H 1 UNL1111111111 0.1440 18 H 3.5910 0.2900 1.3320 H 1 UNL1111111111 0.1419 19 H 2.2591 1.4444 1.2704 H 1 UNL1111111111 0.1623 20 H 3.5899 0.2907 -1.3327 H 1 UNL1111111111 0.1419 21 H 2.0701 -0.0691 -2.1696 H 1 UNL1111111111 0.1439 22 H 2.2552 1.4419 -1.2749 H 1 UNL1111111111 0.1623 23 H 0.1244 -2.3886 0.0020 H 1 UNL1111111111 0.1608 24 H -3.4536 -0.0323 0.0022 H 1 UNL1111111111 0.1538 25 H -2.0205 3.0028 0.8915 H 1 UNL1111111111 0.1540 26 H -2.0204 3.0010 -0.8946 H 1 UNL1111111111 0.1540 27 H -3.3789 2.3262 -0.0009 H 1 UNL1111111111 0.1609 28 H -3.5911 -2.4179 0.2441 H 1 UNL1111111111 0.1505 29 H -2.5075 -3.0636 -0.9953 H 1 UNL1111111111 0.1574 30 H -2.1504 -3.3194 0.7212 H 1 UNL1111111111 0.1551 31 H 0.0484 2.9244 -0.0012 H 1 UNL1111111111 0.3204 @BOND 1 1 7 1 2 1 31 1 3 2 3 1 4 2 4 1 5 2 5 1 6 2 6 1 7 3 7 ar 8 3 8 ar 9 4 14 1 10 4 15 1 11 4 16 1 12 5 17 1 13 5 18 1 14 5 19 1 15 6 20 1 16 6 21 1 17 6 22 1 18 7 9 ar 19 8 10 ar 20 8 23 1 21 9 11 ar 22 9 12 1 23 10 11 ar 24 10 13 1 25 11 24 1 26 12 25 1 27 12 26 1 28 12 27 1 29 13 28 1 30 13 29 1 31 13 30 1