@MOLECULE FDBF00626 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 C1 -0.0730 2.2120 0.7640 C.3 1 FRG1 -0.0468 2 C1 3.0020 -0.7490 -1.2470 C.2 1 FRG1 -0.0852 3 C2 2.6150 -2.0330 -1.2620 C.2 1 FRG1 -0.1023 4 C1 2.3090 0.5880 1.6150 C.3 1 FRG1 -0.0290 5 C1 1.7930 1.7710 2.3780 C.2 1 FRG1 -0.0878 6 C2 0.7300 2.4960 2.0000 C.2 1 FRG1 -0.0910 7 C1 3.3140 1.0120 0.5540 C.3 1 FRG1 -0.0029 8 C2 3.9220 -0.1690 -0.2200 C.3 1 FRG1 0.0084 9 C3 5.1960 0.4220 -0.8510 C.3 1 FRG1 0.0641 10 C4 5.5450 1.6780 -0.0360 C.3 1 FRG1 0.0001 11 C5 4.5550 1.7020 1.1280 C.3 1 FRG1 0.0613 12 O12 5.0950 1.0100 2.2480 O.3 1 FRG1 -0.3914 13 O14 6.2640 -0.5140 -0.7660 O.3 1 FRG1 -0.3911 14 H -0.8652 2.9265 0.6814 H 1 FRG1 0.0272 15 H -0.4861 1.2269 0.8256 H 1 FRG1 0.0272 16 H 0.5599 2.2802 -0.0960 H 1 FRG1 0.0272 17 H 2.6443 -0.1249 -1.9870 H 1 FRG1 0.0570 18 H 2.9549 -2.6829 -0.5360 H 1 FRG1 0.0532 19 H 1.9773 -2.3711 -1.9995 H 1 FRG1 0.0532 20 H 2.7846 -0.0861 2.2964 H 1 FRG1 0.0311 21 H 1.4831 0.1129 1.1281 H 1 FRG1 0.0311 22 H 2.2841 2.0430 3.2439 H 1 FRG1 0.0569 23 H 0.4485 3.2933 2.5917 H 1 FRG1 0.0566 24 H 2.7235 1.6578 -0.0617 H 1 FRG1 0.0335 25 H 4.1210 -0.9997 0.4244 H 1 FRG1 0.0371 26 H 5.0408 0.6543 -1.8839 H 1 FRG1 0.0600 27 H 5.4352 2.5559 -0.6377 H 1 FRG1 0.0315 28 H 6.5584 1.6581 0.3070 H 1 FRG1 0.0315 29 H 4.3312 2.6843 1.4883 H 1 FRG1 0.0597 30 H 5.3221 0.1032 1.9890 H 1 FRG1 0.2098 31 H 6.4229 -0.7397 0.1639 H 1 FRG1 0.2098 @BOND 1 3 2 2 2 2 8 1 3 9 13 1 4 9 8 1 5 9 10 1 6 8 7 1 7 10 11 1 8 7 11 1 9 7 4 1 10 1 6 1 11 11 12 1 12 4 5 1 13 6 5 2 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 6 23 1 24 7 24 1 25 8 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 11 29 1 30 12 30 1 31 13 31 1