@MOLECULE 2-tert-butyl-4-methylphenol 28 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.9929 2.1244 -0.0009 O.3 1 UNL1 -0.4776 2 C 1.6692 -0.6038 -0.0001 C.3 1 UNL1 0.1384 3 C 0.2365 -0.1137 0.0004 C.ar 1 UNL1 -0.0831 4 C 1.7660 -2.1423 0.0007 C.3 1 UNL1 -0.4653 5 C 2.3783 -0.0851 1.2638 C.3 1 UNL1 -0.4595 6 C 2.3780 -0.0858 -1.2650 C.3 1 UNL1 -0.4594 7 C -0.8480 -0.9846 0.0019 C.ar 1 UNL1 -0.1552 8 C -0.0641 1.2619 -0.0003 C.ar 1 UNL1 0.2487 9 C -2.1709 -0.5227 0.0030 C.ar 1 UNL1 -0.0169 10 C -1.3689 1.7500 -0.0001 C.ar 1 UNL1 -0.2898 11 C -2.4282 0.8450 0.0015 C.ar 1 UNL1 -0.1268 12 C -3.2898 -1.5092 -0.0027 C.3 1 UNL1 -0.4429 13 H 1.2941 -2.5755 -0.8871 H 1 UNL1 0.1448 14 H 2.8138 -2.4633 -0.0009 H 1 UNL1 0.1481 15 H 1.2971 -2.5746 0.8903 H 1 UNL1 0.1448 16 H 1.8434 -0.3889 2.1692 H 1 UNL1 0.1442 17 H 3.4012 -0.4676 1.3294 H 1 UNL1 0.1428 18 H 2.4398 1.0100 1.2711 H 1 UNL1 0.1625 19 H 3.4002 -0.4695 -1.3304 H 1 UNL1 0.1428 20 H 1.8422 -0.3887 -2.1699 H 1 UNL1 0.1441 21 H 2.4411 1.0093 -1.2717 H 1 UNL1 0.1625 22 H -0.6842 -2.0621 0.0019 H 1 UNL1 0.1597 23 H -1.5613 2.8177 -0.0010 H 1 UNL1 0.1575 24 H -3.4528 1.2128 0.0013 H 1 UNL1 0.1516 25 H -4.2660 -1.0420 0.1808 H 1 UNL1 0.1510 26 H -3.3559 -2.0243 -0.9728 H 1 UNL1 0.1571 27 H -3.1544 -2.2808 0.7686 H 1 UNL1 0.1552 28 H 0.6974 3.0655 -0.0013 H 1 UNL1 0.3206 @BOND 1 20 6 1 2 19 6 1 3 21 6 1 4 6 2 1 5 26 12 1 6 13 4 1 7 12 9 1 8 12 25 1 9 12 27 1 10 28 1 1 11 23 10 1 12 1 8 1 13 14 4 1 14 8 10 ar 15 8 3 ar 16 2 3 1 17 2 4 1 18 2 5 1 19 10 11 ar 20 3 7 ar 21 4 15 1 22 24 11 1 23 11 9 ar 24 7 22 1 25 7 9 ar 26 5 18 1 27 5 17 1 28 5 16 1