@MOLECULE ***** 28 31 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1970 3.0090 -0.0040 O.2 1 UNL1 -0.2444 2 O -5.7420 -0.6190 -0.0260 O.3 1 UNL1 -0.5066 3 O 5.6650 -1.2070 0.0230 O.3 1 UNL1 -0.5066 4 C -3.6670 -1.7820 -0.0110 C.ar 1 UNL1 -0.0193 5 C 4.2880 0.7330 0.0170 C.ar 1 UNL1 -0.0194 6 C -2.3020 -1.7660 -0.0060 C.ar 1 UNL1 -0.0441 7 C 3.0350 1.3050 0.0100 C.ar 1 UNL1 -0.0467 8 C -3.7240 0.6290 -0.0090 C.ar 1 UNL1 0.0230 9 C 3.3070 -1.4670 0.0150 C.ar 1 UNL1 0.0228 10 O -1.6830 1.8450 -0.0090 O.2 1 UNL1 -0.4214 11 O 0.7990 -1.4470 0.0050 O.2 1 UNL1 -0.4537 12 C -4.3850 -0.5890 -0.0150 C.ar 1 UNL1 0.1204 13 C 4.4240 -0.6510 0.0180 C.ar 1 UNL1 0.1204 14 C -0.3420 1.9170 -0.0040 C.ar 1 UNL1 0.3488 15 C -2.3370 0.6630 -0.0100 C.ar 1 UNL1 0.1461 16 C 2.0360 -0.9050 0.0090 C.ar 1 UNL1 0.1400 17 C -1.6200 -0.5460 -0.0060 C.ar 1 UNL1 0.0607 18 C 1.9040 0.4930 0.0070 C.ar 1 UNL1 0.0351 19 C -0.1520 -0.5010 0.0000 C.ar 1 UNL1 0.1538 20 C 0.4550 0.7520 0.0000 C.ar 1 UNL1 0.1128 21 H -6.1420 -0.6280 0.8540 H 1 UNL1 0.2921 22 H 6.0260 -1.3690 -0.8590 H 1 UNL1 0.2921 23 H -4.1940 -2.7250 -0.0150 H 1 UNL1 0.0654 24 H 5.1670 1.3610 0.0200 H 1 UNL1 0.0654 25 H -1.7490 -2.6940 -0.0020 H 1 UNL1 0.0627 26 H 2.9300 2.3800 0.0080 H 1 UNL1 0.0626 27 H -4.2880 1.5500 -0.0130 H 1 UNL1 0.0691 28 H 3.4220 -2.5400 0.0180 H 1 UNL1 0.0691 @BOND 1 3 13 1 2 13 9 ar 3 13 5 ar 4 9 16 ar 5 5 7 ar 6 16 11 ar 7 16 18 ar 8 11 19 ar 9 7 18 ar 10 18 20 ar 11 19 20 ar 12 19 17 ar 13 20 14 ar 14 6 17 ar 15 6 4 ar 16 17 15 ar 17 4 12 ar 18 14 1 2 19 14 10 ar 20 15 10 ar 21 15 8 ar 22 12 8 ar 23 12 2 1 24 2 21 1 25 3 22 1 26 4 23 1 27 5 24 1 28 6 25 1 29 7 26 1 30 8 27 1 31 9 28 1