@MOLECULE menadione-2,3-epoxide 22 24 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6729 0.5239 1.3087 O.3 1 UNL1111111111 -0.2777 2 O 1.1042 -2.3101 -0.5762 O.2 1 UNL1111111111 -0.3903 3 O -0.1046 2.7731 -0.6471 O.2 1 UNL1111111111 -0.3915 4 C 1.9112 -0.1875 0.0914 C.3 1 UNL1111111111 0.0792 5 C 1.5477 1.2657 0.0949 C.3 1 UNL1111111111 -0.1189 6 C 0.8263 -1.1922 -0.2261 C.2 1 UNL1111111111 0.4266 7 C 0.1409 1.6621 -0.2505 C.2 1 UNL1111111111 0.4329 8 C 3.3117 -0.6377 -0.1605 C.3 1 UNL1111111111 -0.4520 9 C -0.5758 -0.7355 -0.0784 C.ar 1 UNL1111111111 -0.1135 10 C -0.9048 0.6249 -0.0902 C.ar 1 UNL1111111111 -0.1091 11 C -1.5782 -1.6922 0.0652 C.ar 1 UNL1111111111 -0.0985 12 C -2.2326 1.0232 0.0400 C.ar 1 UNL1111111111 -0.0989 13 C -2.9076 -1.2904 0.2083 C.ar 1 UNL1111111111 -0.1325 14 C -3.2338 0.0627 0.1954 C.ar 1 UNL1111111111 -0.1313 15 H 2.3045 2.0428 -0.0597 H 1 UNL1111111111 0.1899 16 H 3.5707 -0.5703 -1.2277 H 1 UNL1111111111 0.1692 17 H 4.0447 -0.0442 0.4049 H 1 UNL1111111111 0.1691 18 H 3.4554 -1.6920 0.1332 H 1 UNL1111111111 0.1812 19 H -1.3188 -2.7544 0.0627 H 1 UNL1111111111 0.1750 20 H -2.4847 2.0869 0.0167 H 1 UNL1111111111 0.1754 21 H -3.6894 -2.0405 0.3272 H 1 UNL1111111111 0.1581 22 H -4.2721 0.3759 0.3034 H 1 UNL1111111111 0.1578 @BOND 1 1 4 1 2 1 5 1 3 2 6 2 4 3 7 2 5 4 5 1 6 4 6 1 7 4 8 1 8 5 7 1 9 5 15 1 10 6 9 1 11 7 10 1 12 8 16 1 13 8 17 1 14 8 18 1 15 9 10 ar 16 9 11 ar 17 10 12 ar 18 11 13 ar 19 11 19 1 20 12 14 ar 21 12 20 1 22 13 14 ar 23 13 21 1 24 14 22 1