@MOLECULE amylmetacresol 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7189 2.2191 0.1714 O.3 1 UNL1111111111 -0.4769 2 C 1.7964 -0.2523 -0.1303 C.3 1 UNL1111111111 -0.2697 3 C 0.8336 -0.0993 1.0582 C.3 1 UNL1111111111 -0.2663 4 C 3.2527 -0.1118 0.3257 C.3 1 UNL1111111111 -0.2722 5 C -0.5820 -0.1665 0.5863 C.ar 1 UNL1111111111 -0.1669 6 C 4.2096 -0.2740 -0.8631 C.3 1 UNL1111111111 -0.2490 7 C -1.2732 0.9780 0.1692 C.ar 1 UNL1111111111 0.2844 8 C -1.2588 -1.3854 0.5343 C.ar 1 UNL1111111111 -0.0852 9 C 5.6644 -0.1344 -0.4150 C.3 1 UNL1111111111 -0.4414 10 C -3.2478 -0.2971 -0.3167 C.ar 1 UNL1111111111 0.1033 11 C -2.5957 0.9332 -0.2790 C.ar 1 UNL1111111111 -0.2833 12 C -2.5751 -1.4555 0.0884 C.ar 1 UNL1111111111 -0.2547 13 C -4.6544 -0.3785 -0.8047 C.3 1 UNL1111111111 -0.4580 14 H 1.5627 0.4945 -0.9112 H 1 UNL1111111111 0.1410 15 H 1.6392 -1.2382 -0.6102 H 1 UNL1111111111 0.1455 16 H 1.0353 0.8453 1.6028 H 1 UNL1111111111 0.1366 17 H 1.0328 -0.8957 1.8058 H 1 UNL1111111111 0.1533 18 H 3.4116 0.8718 0.8049 H 1 UNL1111111111 0.1347 19 H 3.4843 -0.8663 1.1007 H 1 UNL1111111111 0.1376 20 H 3.9800 0.4791 -1.6406 H 1 UNL1111111111 0.1356 21 H 4.0550 -1.2596 -1.3419 H 1 UNL1111111111 0.1347 22 H -0.7476 -2.2958 0.8469 H 1 UNL1111111111 0.1497 23 H 5.9290 -0.8917 0.3312 H 1 UNL1111111111 0.1419 24 H 6.3529 -0.2507 -1.2594 H 1 UNL1111111111 0.1410 25 H 5.8545 0.8483 0.0307 H 1 UNL1111111111 0.1425 26 H -3.0889 1.8501 -0.5890 H 1 UNL1111111111 0.1768 27 H -3.0832 -2.4148 0.0555 H 1 UNL1111111111 0.1557 28 H -5.2255 0.5336 -0.5819 H 1 UNL1111111111 0.1595 29 H -4.6794 -0.5183 -1.8982 H 1 UNL1111111111 0.1640 30 H -5.2038 -1.2189 -0.3592 H 1 UNL1111111111 0.1567 31 H 0.2308 2.2051 0.4465 H 1 UNL1111111111 0.3291 @BOND 1 1 7 1 2 1 31 1 3 2 3 1 4 2 4 1 5 2 14 1 6 2 15 1 7 3 5 1 8 3 16 1 9 3 17 1 10 4 6 1 11 4 18 1 12 4 19 1 13 5 7 ar 14 5 8 ar 15 6 9 1 16 6 20 1 17 6 21 1 18 7 11 ar 19 8 12 ar 20 8 22 1 21 9 23 1 22 9 24 1 23 9 25 1 24 10 11 ar 25 10 12 ar 26 10 13 1 27 11 26 1 28 12 27 1 29 13 28 1 30 13 29 1 31 13 30 1