@MOLECULE MYR 44 43 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.9630 -0.1210 0.0010 C.2 1 UNL1 0.3047 2 O 6.8890 -1.3270 0.0010 O.2 1 UNL1 -0.2510 3 O 8.1650 0.4770 -0.0040 O.3 1 UNL1 -0.4806 4 C 5.7070 0.7120 0.0020 C.3 1 UNL1 0.0448 5 C 4.4850 -0.2090 0.0010 C.3 1 UNL1 -0.0430 6 C 3.2100 0.6370 0.0010 C.3 1 UNL1 -0.0526 7 C 1.9880 -0.2840 0.0010 C.3 1 UNL1 -0.0530 8 C 0.7120 0.5610 0.0010 C.3 1 UNL1 -0.0531 9 C -0.5100 -0.3590 0.0000 C.3 1 UNL1 -0.0531 10 C -1.7850 0.4860 0.0010 C.3 1 UNL1 -0.0531 11 C -3.0070 -0.4350 -0.0000 C.3 1 UNL1 -0.0531 12 C -4.2820 0.4100 0.0000 C.3 1 UNL1 -0.0531 13 C -5.5040 -0.5100 -0.0010 C.3 1 UNL1 -0.0531 14 C -6.7800 0.3350 -0.0000 C.3 1 UNL1 -0.0533 15 C -8.0020 -0.5860 -0.0010 C.3 1 UNL1 -0.0559 16 C -9.2770 0.2600 -0.0010 C.3 1 UNL1 -0.0653 17 H 8.9420 -0.0980 -0.0080 H 1 UNL1 0.2951 18 H 5.6880 1.3400 0.8920 H 1 UNL1 0.0377 19 H 5.6880 1.3410 -0.8880 H 1 UNL1 0.0377 20 H 4.5040 -0.8370 -0.8900 H 1 UNL1 0.0270 21 H 4.5040 -0.8380 0.8910 H 1 UNL1 0.0270 22 H 3.1910 1.2650 0.8910 H 1 UNL1 0.0265 23 H 3.1910 1.2660 -0.8880 H 1 UNL1 0.0265 24 H 2.0070 -0.9130 -0.8900 H 1 UNL1 0.0265 25 H 2.0070 -0.9140 0.8900 H 1 UNL1 0.0265 26 H 0.6930 1.1900 0.8910 H 1 UNL1 0.0265 27 H 0.6930 1.1910 -0.8890 H 1 UNL1 0.0265 28 H -0.4910 -0.9880 -0.8900 H 1 UNL1 0.0265 29 H -0.4910 -0.9890 0.8900 H 1 UNL1 0.0265 30 H -1.8040 1.1140 0.8910 H 1 UNL1 0.0265 31 H -1.8040 1.1150 -0.8890 H 1 UNL1 0.0265 32 H -2.9880 -1.0630 -0.8910 H 1 UNL1 0.0265 33 H -2.9880 -1.0640 0.8900 H 1 UNL1 0.0265 34 H -4.3010 1.0390 0.8910 H 1 UNL1 0.0265 35 H -4.3010 1.0400 -0.8900 H 1 UNL1 0.0265 36 H -5.4850 -1.1390 -0.8910 H 1 UNL1 0.0265 37 H -5.4850 -1.1400 0.8890 H 1 UNL1 0.0265 38 H -6.7990 0.9640 0.8900 H 1 UNL1 0.0265 39 H -6.7990 0.9650 -0.8900 H 1 UNL1 0.0265 40 H -7.9830 -1.2140 -0.8910 H 1 UNL1 0.0263 41 H -7.9830 -1.2150 0.8890 H 1 UNL1 0.0263 42 H -9.2960 0.8890 -0.8900 H 1 UNL1 0.0230 43 H -10.1480 -0.3960 -0.0010 H 1 UNL1 0.0230 44 H -9.2960 0.8880 0.8900 H 1 UNL1 0.0230 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 3 17 1 5 4 5 1 6 4 18 1 7 4 19 1 8 5 6 1 9 5 20 1 10 5 21 1 11 6 7 1 12 6 22 1 13 6 23 1 14 7 8 1 15 7 24 1 16 7 25 1 17 8 9 1 18 8 26 1 19 8 27 1 20 9 10 1 21 9 28 1 22 9 29 1 23 10 11 1 24 10 30 1 25 10 31 1 26 11 12 1 27 11 32 1 28 11 33 1 29 12 13 1 30 12 34 1 31 12 35 1 32 13 14 1 33 13 36 1 34 13 37 1 35 14 15 1 36 14 38 1 37 14 39 1 38 15 16 1 39 15 40 1 40 15 41 1 41 16 42 1 42 16 43 1 43 16 44 1