@MOLECULE ***** 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.8600 2.2210 0.8610 C.3 1 UNL1 -0.0429 2 C 4.0380 1.1270 0.7660 C.3 1 UNL1 -0.0490 3 C 4.5410 -1.7500 0.0080 C.2 1 UNL1 0.3050 4 C -1.6410 0.5870 -1.5780 C.ar 1 UNL1 -0.0510 5 C -3.0000 0.5410 -1.3470 C.ar 1 UNL1 -0.0574 6 C -3.4860 0.5530 -0.0520 C.ar 1 UNL1 -0.0367 7 C -2.6150 0.6130 1.0220 C.ar 1 UNL1 -0.0574 8 C -1.2530 0.6580 0.8080 C.ar 1 UNL1 -0.0510 9 C -0.7540 0.6460 -0.4980 C.ar 1 UNL1 0.0177 10 C -4.9730 0.5030 0.1910 C.3 1 UNL1 0.0699 11 C -5.4150 -0.9330 0.3060 C.2 1 UNL1 0.3091 12 C 0.6980 0.6950 -0.7350 C.2 1 UNL1 0.1665 13 C 1.6500 0.7580 0.4310 C.3 1 UNL1 0.0254 14 C 3.0340 0.2190 0.0140 C.3 1 UNL1 -0.0211 15 C 3.3640 2.5190 0.6890 C.3 1 UNL1 -0.0521 16 C 3.1950 -1.2370 0.4540 C.3 1 UNL1 0.0482 17 O 1.1280 0.6830 -1.8690 O.2 1 UNL1 -0.2918 18 O -4.6060 -1.8240 0.2020 O.2 1 UNL1 -0.2507 19 O -6.7070 -1.2220 0.5250 O.3 1 UNL1 -0.4804 20 O 5.2930 -1.0250 -0.5980 O.2 1 UNL1 -0.2510 21 O 4.9030 -3.0120 0.2860 O.3 1 UNL1 -0.4806 22 H 1.2730 2.8850 0.2260 H 1 UNL1 0.0272 23 H 1.5700 2.3490 1.9040 H 1 UNL1 0.0272 24 H 4.1470 0.8070 1.8020 H 1 UNL1 0.0268 25 H 5.0030 1.1370 0.2600 H 1 UNL1 0.0268 26 H -1.2630 0.5720 -2.5890 H 1 UNL1 0.0625 27 H -3.6860 0.4950 -2.1800 H 1 UNL1 0.0621 28 H -3.0020 0.6230 2.0300 H 1 UNL1 0.0621 29 H -0.5750 0.7050 1.6470 H 1 UNL1 0.0625 30 H -5.2080 1.0310 1.1160 H 1 UNL1 0.0426 31 H -5.4930 0.9780 -0.6410 H 1 UNL1 0.0426 32 H 1.2580 0.1770 1.2650 H 1 UNL1 0.0384 33 H 3.1710 0.3090 -1.0640 H 1 UNL1 0.0313 34 H 3.5530 2.9820 -0.2790 H 1 UNL1 0.0266 35 H 3.7200 3.1600 1.4960 H 1 UNL1 0.0266 36 H 2.4090 -1.8430 0.0030 H 1 UNL1 0.0380 37 H 3.1240 -1.2990 1.5390 H 1 UNL1 0.0380 38 H -6.9430 -2.1580 0.5910 H 1 UNL1 0.2951 39 H 5.7760 -3.2960 -0.0200 H 1 UNL1 0.2951 @BOND 1 1 13 1 2 1 15 1 3 2 14 1 4 2 15 1 5 3 16 1 6 3 20 2 7 3 21 1 8 4 5 ar 9 4 9 ar 10 5 6 ar 11 6 7 ar 12 6 10 1 13 7 8 ar 14 8 9 ar 15 9 12 1 16 10 11 1 17 11 18 2 18 11 19 1 19 12 13 1 20 12 17 2 21 14 16 1 22 1 22 1 23 1 23 1 24 2 24 1 25 2 25 1 26 4 26 1 27 5 27 1 28 7 28 1 29 8 29 1 30 10 30 1 31 10 31 1 32 13 32 1 33 14 33 1 34 15 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 19 38 1 39 21 39 1 40 14 13 1