@MOLECULE mesitaldehyde 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9794 0.0008 -0.6363 O.2 1 UNL1111111111 -0.4256 2 C -0.0682 -1.2139 0.1041 C.ar 1 UNL1111111111 0.1093 3 C -0.0684 1.2138 0.1043 C.ar 1 UNL1111111111 0.1095 4 C -0.7573 -0.0001 0.1708 C.ar 1 UNL1111111111 -0.2549 5 C 2.0178 -0.0001 -0.0603 C.ar 1 UNL1111111111 0.0989 6 C 1.3224 -1.2097 -0.0072 C.ar 1 UNL1111111111 -0.2563 7 C 1.3220 1.2094 -0.0071 C.ar 1 UNL1111111111 -0.2564 8 C -0.8148 -2.5038 0.1519 C.3 1 UNL1111111111 -0.4677 9 C -0.8150 2.5037 0.1522 C.3 1 UNL1111111111 -0.4676 10 C 3.5028 0.0005 -0.1954 C.3 1 UNL1111111111 -0.4611 11 C -2.2332 -0.0008 0.3106 C.2 1 UNL1111111111 0.3643 12 H 1.8654 -2.1493 -0.0583 H 1 UNL1111111111 0.1600 13 H 1.8655 2.1489 -0.0576 H 1 UNL1111111111 0.1600 14 H -1.2770 -2.6644 1.1369 H 1 UNL1111111111 0.1617 15 H -1.6221 -2.5272 -0.5993 H 1 UNL1111111111 0.1749 16 H -0.1736 -3.3731 -0.0478 H 1 UNL1111111111 0.1606 17 H -1.2880 2.6590 1.1328 H 1 UNL1111111111 0.1615 18 H -0.1719 3.3741 -0.0354 H 1 UNL1111111111 0.1606 19 H -1.6146 2.5304 -0.6072 H 1 UNL1111111111 0.1751 20 H 3.9654 0.8763 0.2801 H 1 UNL1111111111 0.1583 21 H 3.9645 -0.8898 0.2531 H 1 UNL1111111111 0.1581 22 H 3.7943 0.0166 -1.2578 H 1 UNL1111111111 0.1669 23 H -2.6282 -0.0032 1.3371 H 1 UNL1111111111 0.1100 @BOND 1 1 11 2 2 2 4 ar 3 2 6 ar 4 2 8 1 5 3 4 ar 6 3 7 ar 7 3 9 1 8 4 11 1 9 5 6 ar 10 5 7 ar 11 5 10 1 12 6 12 1 13 7 13 1 14 8 14 1 15 8 15 1 16 8 16 1 17 9 17 1 18 9 18 1 19 9 19 1 20 10 20 1 21 10 21 1 22 10 22 1 23 11 23 1