@MOLECULE sapinofuranone b 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2858 0.0844 0.8037 O.3 1 UNL1111111111 -0.4105 2 O -1.0406 -2.0194 -0.9273 O.3 1 UNL1111111111 -0.5421 3 O -3.3561 0.6087 1.4017 O.2 1 UNL1111111111 -0.4410 4 C -0.4090 0.2296 -0.3205 C.3 1 UNL1111111111 0.0596 5 C -1.2163 0.8867 -1.4562 C.3 1 UNL1111111111 -0.3110 6 C 0.0734 -1.1978 -0.6672 C.3 1 UNL1111111111 0.1167 7 C -2.5336 1.3087 -0.7999 C.3 1 UNL1111111111 -0.3704 8 C -2.5044 0.6704 0.5634 C.2 1 UNL1111111111 0.5969 9 C 0.9034 -1.7595 0.4455 C.2 1 UNL1111111111 -0.1988 10 C 2.1393 -1.3352 0.7270 C.2 1 UNL1111111111 -0.1524 11 C 2.8229 -0.2864 -0.0263 C.2 1 UNL1111111111 -0.2082 12 C 3.2609 0.8388 0.5491 C.2 1 UNL1111111111 -0.1073 13 C 3.9501 1.9213 -0.2035 C.3 1 UNL1111111111 -0.4519 14 H 0.4270 0.8653 0.0414 H 1 UNL1111111111 0.1540 15 H -1.3946 0.1709 -2.2827 H 1 UNL1111111111 0.1717 16 H -0.6754 1.7383 -1.8975 H 1 UNL1111111111 0.1519 17 H 0.6192 -1.2105 -1.6422 H 1 UNL1111111111 0.1559 18 H -3.4197 0.9718 -1.3712 H 1 UNL1111111111 0.1829 19 H -2.6325 2.4073 -0.7107 H 1 UNL1111111111 0.1789 20 H 0.4179 -2.5489 1.0199 H 1 UNL1111111111 0.1685 21 H -1.6583 -2.0058 -0.1614 H 1 UNL1111111111 0.3289 22 H 2.7102 -1.7610 1.5556 H 1 UNL1111111111 0.1597 23 H 2.9546 -0.4852 -1.0904 H 1 UNL1111111111 0.1542 24 H 3.1289 1.0292 1.6147 H 1 UNL1111111111 0.1486 25 H 3.3967 2.8694 -0.1335 H 1 UNL1111111111 0.1561 26 H 4.0735 1.6943 -1.2707 H 1 UNL1111111111 0.1512 27 H 4.9559 2.1070 0.2034 H 1 UNL1111111111 0.1577 @BOND 1 1 4 1 2 1 8 1 3 2 6 1 4 2 21 1 5 3 8 2 6 4 5 1 7 4 6 1 8 4 14 1 9 5 7 1 10 5 15 1 11 5 16 1 12 6 9 1 13 6 17 1 14 7 8 1 15 7 18 1 16 7 19 1 17 9 10 2 18 9 20 1 19 10 11 1 20 10 22 1 21 11 12 2 22 11 23 1 23 12 13 1 24 12 24 1 25 13 25 1 26 13 26 1 27 13 27 1