@MOLECULE 3-o-methylhex-2-ulose 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0525 -1.6187 0.2705 O.3 1 UNL1111111111 -0.3740 2 O -0.1252 1.8915 0.0489 O.3 1 UNL1111111111 -0.5800 3 O 2.5425 1.7233 0.4058 O.3 1 UNL1111111111 -0.5798 4 O 3.9487 -0.4412 -0.4697 O.3 1 UNL1111111111 -0.5697 5 O -2.5030 -0.9474 0.8400 O.2 1 UNL1111111111 -0.4352 6 O -3.9466 0.8718 -0.5312 O.3 1 UNL1111111111 -0.5279 7 C 0.4810 0.6557 0.3697 C.3 1 UNL1111111111 0.1163 8 C -0.4463 -0.4083 -0.2619 C.3 1 UNL1111111111 -0.0382 9 C 1.9021 0.6304 -0.2326 C.3 1 UNL1111111111 0.0868 10 C 2.6584 -0.6664 0.0845 C.3 1 UNL1111111111 -0.0535 11 C -1.8929 -0.1665 0.1554 C.2 1 UNL1111111111 0.3986 12 C -2.5670 1.0908 -0.3530 C.3 1 UNL1111111111 -0.0935 13 C -0.4976 -2.7836 -0.3220 C.3 1 UNL1111111111 -0.1978 14 H 0.5121 0.5596 1.4796 H 1 UNL1111111111 0.1562 15 H -0.3680 -0.4114 -1.3727 H 1 UNL1111111111 0.1520 16 H 1.8956 0.8411 -1.3258 H 1 UNL1111111111 0.1455 17 H 2.7452 -0.8387 1.1711 H 1 UNL1111111111 0.1346 18 H 2.2075 -1.5488 -0.4042 H 1 UNL1111111111 0.1453 19 H 0.5162 2.6263 0.2064 H 1 UNL1111111111 0.3578 20 H -2.4202 1.9299 0.3610 H 1 UNL1111111111 0.1675 21 H -2.2130 1.4118 -1.3505 H 1 UNL1111111111 0.1685 22 H 3.5137 1.6652 0.2589 H 1 UNL1111111111 0.3496 23 H -0.2995 -2.8126 -1.3965 H 1 UNL1111111111 0.1198 24 H -1.5712 -2.8617 -0.1121 H 1 UNL1111111111 0.1511 25 H 0.0396 -3.5886 0.1964 H 1 UNL1111111111 0.1472 26 H 4.5596 -1.1575 -0.2132 H 1 UNL1111111111 0.3242 27 H -4.3065 0.3382 0.2154 H 1 UNL1111111111 0.3286 @BOND 1 1 8 1 2 1 13 1 3 2 7 1 4 2 19 1 5 3 9 1 6 3 22 1 7 4 10 1 8 4 26 1 9 5 11 2 10 6 12 1 11 6 27 1 12 7 8 1 13 7 9 1 14 7 14 1 15 8 11 1 16 8 15 1 17 9 10 1 18 9 16 1 19 10 17 1 20 10 18 1 21 11 12 1 22 12 20 1 23 12 21 1 24 13 23 1 25 13 24 1 26 13 25 1