@MOLECULE CIT 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.4120 -0.0060 2.4790 C.2 1 UNL1 0.3080 2 O -0.4460 0.8360 2.3680 O.2 1 UNL1 -0.2509 3 O 0.8120 -0.4000 3.6980 O.3 1 UNL1 -0.4805 4 C 1.0320 -0.6160 1.2490 C.3 1 UNL1 0.0845 5 C 0.4020 0.0020 0.0000 C.3 1 UNL1 0.1820 6 O 0.6310 1.4120 0.0000 O.3 1 UNL1 -0.3765 7 C 1.0320 -0.6160 -1.2490 C.3 1 UNL1 0.0845 8 C 0.4120 -0.0060 -2.4790 C.2 1 UNL1 0.3080 9 O -0.4460 0.8360 -2.3680 O.2 1 UNL1 -0.2509 10 O 0.8120 -0.4000 -3.6980 O.3 1 UNL1 -0.4805 11 C -1.0800 -0.2650 0.0000 C.2 1 UNL1 0.3379 12 O -1.8600 0.6560 0.0000 O.2 1 UNL1 -0.2477 13 O -1.5330 -1.5290 0.0000 O.3 1 UNL1 -0.4786 14 H 0.4140 -0.0090 4.4880 H 1 UNL1 0.2951 15 H 2.1050 -0.4220 1.2490 H 1 UNL1 0.0412 16 H 0.8580 -1.6920 1.2490 H 1 UNL1 0.0412 17 H 1.5900 1.5400 0.0000 H 1 UNL1 0.2109 18 H 2.1050 -0.4220 -1.2490 H 1 UNL1 0.0412 19 H 0.8580 -1.6920 -1.2490 H 1 UNL1 0.0412 20 H 0.4140 -0.0090 -4.4880 H 1 UNL1 0.2951 21 H -2.4850 -1.7010 0.0000 H 1 UNL1 0.2951 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 3 14 1 5 4 5 1 6 4 15 1 7 4 16 1 8 5 6 1 9 5 7 1 10 5 11 1 11 6 17 1 12 7 8 1 13 7 18 1 14 7 19 1 15 8 9 2 16 8 10 1 17 10 20 1 18 11 12 2 19 11 13 1 20 13 21 1