@MOLECULE ethyl furaneol 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4096 1.1291 0.3866 O.2 1 UNL1111111111 -0.3172 2 O 2.5699 -0.6803 -0.3612 O.2 1 UNL1111111111 -0.4124 3 O 0.1090 -2.3653 0.1800 O.2 1 UNL1111111111 -0.4262 4 C -0.9929 -0.1990 0.4800 C.3 1 UNL1111111111 -0.0199 5 C -2.1003 -0.3000 -0.5570 C.3 1 UNL1111111111 -0.2671 6 C 0.1638 -1.1667 0.1923 C.2 1 UNL1111111111 0.3954 7 C 0.9211 1.0076 0.0674 C.2 1 UNL1111111111 0.2380 8 C 1.3109 -0.2885 -0.0547 C.2 1 UNL1111111111 -0.1170 9 C -3.2675 0.6145 -0.1962 C.3 1 UNL1111111111 -0.4317 10 C 1.6269 2.2852 -0.0654 C.3 1 UNL1111111111 -0.4486 11 H -1.3578 -0.2770 1.5242 H 1 UNL1111111111 0.1709 12 H -2.4408 -1.3551 -0.6316 H 1 UNL1111111111 0.1632 13 H -1.7075 -0.0355 -1.5603 H 1 UNL1111111111 0.1557 14 H -3.7346 0.3248 0.7519 H 1 UNL1111111111 0.1454 15 H -2.9382 1.6574 -0.0969 H 1 UNL1111111111 0.1546 16 H -4.0457 0.5892 -0.9679 H 1 UNL1111111111 0.1463 17 H 2.6885 2.1326 -0.3297 H 1 UNL1111111111 0.1849 18 H 1.5979 2.8673 0.8721 H 1 UNL1111111111 0.1779 19 H 1.1767 2.9208 -0.8473 H 1 UNL1111111111 0.1770 20 H 2.6000 -1.6770 -0.3841 H 1 UNL1111111111 0.3308 @BOND 1 1 4 1 2 1 7 1 3 2 8 1 4 2 20 1 5 3 6 2 6 4 5 1 7 4 6 1 8 4 11 1 9 5 9 1 10 5 12 1 11 5 13 1 12 6 8 1 13 7 8 2 14 7 10 1 15 9 14 1 16 9 15 1 17 9 16 1 18 10 17 1 19 10 18 1 20 10 19 1