@MOLECULE t-butyl catechol 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4466 -1.9291 0.0113 O.3 1 UNL1111111111 -0.5142 2 O 2.9863 -1.0944 0.0032 O.3 1 UNL1111111111 -0.4515 3 C -1.8618 -0.0458 0.0026 C.3 1 UNL1111111111 0.1199 4 C -0.4070 0.3733 -0.0079 C.ar 1 UNL1111111111 -0.0824 5 C -2.8252 1.1563 0.0056 C.3 1 UNL1111111111 -0.4577 6 C -2.1443 -0.8654 1.2756 C.3 1 UNL1111111111 -0.4668 7 C -2.1685 -0.8733 -1.2616 C.3 1 UNL1111111111 -0.4585 8 C 0.6181 -0.5749 -0.0087 C.ar 1 UNL1111111111 0.1179 9 C -0.0269 1.7218 -0.0075 C.ar 1 UNL1111111111 -0.1861 10 C 1.9738 -0.1908 -0.0015 C.ar 1 UNL1111111111 0.2123 11 C 1.3115 2.1042 -0.0035 C.ar 1 UNL1111111111 -0.1364 12 C 2.3298 1.1534 0.0020 C.ar 1 UNL1111111111 -0.2131 13 H -3.8687 0.8220 0.0265 H 1 UNL1111111111 0.1474 14 H -2.6744 1.7919 0.8854 H 1 UNL1111111111 0.1503 15 H -2.7013 1.7756 -0.8894 H 1 UNL1111111111 0.1490 16 H -1.9682 -0.2581 2.1729 H 1 UNL1111111111 0.1573 17 H -3.1847 -1.2054 1.3056 H 1 UNL1111111111 0.1490 18 H -1.5049 -1.7483 1.3697 H 1 UNL1111111111 0.1487 19 H -3.2355 -1.1162 -1.3243 H 1 UNL1111111111 0.1533 20 H -1.9042 -0.3112 -2.1663 H 1 UNL1111111111 0.1582 21 H -1.6218 -1.8226 -1.2989 H 1 UNL1111111111 0.1313 22 H -0.7844 2.5030 -0.0092 H 1 UNL1111111111 0.1579 23 H 1.5685 3.1625 -0.0032 H 1 UNL1111111111 0.1533 24 H 3.3786 1.4390 0.0067 H 1 UNL1111111111 0.1757 25 H -0.4802 -2.1915 -0.2380 H 1 UNL1111111111 0.3442 26 H 2.6291 -2.0225 -0.0092 H 1 UNL1111111111 0.3411 @BOND 1 1 8 1 2 1 25 1 3 2 10 1 4 2 26 1 5 3 4 1 6 3 5 1 7 3 6 1 8 3 7 1 9 4 8 ar 10 4 9 ar 11 5 13 1 12 5 14 1 13 5 15 1 14 6 16 1 15 6 17 1 16 6 18 1 17 7 19 1 18 7 20 1 19 7 21 1 20 8 10 ar 21 9 11 ar 22 9 22 1 23 10 12 ar 24 11 12 ar 25 11 23 1 26 12 24 1