@MOLECULE d-lyxo-hexos-5-ulose 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6703 -1.5227 0.3526 O.3 1 UNL1111111111 -0.5845 2 O -0.5894 0.4464 1.7901 O.3 1 UNL1111111111 -0.5086 3 O 2.0884 1.6164 -0.5090 O.3 1 UNL1111111111 -0.5397 4 O -1.9347 -1.2716 -0.3635 O.2 1 UNL1111111111 -0.4689 5 O -4.1877 0.1655 -0.7776 O.3 1 UNL1111111111 -0.5132 6 O 3.9921 -0.2404 -0.7376 O.2 1 UNL1111111111 -0.4309 7 C 0.6420 -0.2232 -0.1978 C.3 1 UNL1111111111 0.0840 8 C -0.5660 0.5333 0.3875 C.3 1 UNL1111111111 -0.0156 9 C 1.9598 0.4425 0.2538 C.3 1 UNL1111111111 0.0042 10 C -1.8757 -0.0940 -0.0964 C.2 1 UNL1111111111 0.3946 11 C -3.0885 0.7921 -0.1626 C.3 1 UNL1111111111 -0.1069 12 C 3.1196 -0.5219 0.0457 C.2 1 UNL1111111111 0.3129 13 H 0.5871 -0.2870 -1.3078 H 1 UNL1111111111 0.1498 14 H -0.5016 1.6278 0.1796 H 1 UNL1111111111 0.1845 15 H 1.9075 0.7906 1.3140 H 1 UNL1111111111 0.1775 16 H -3.4045 1.0977 0.8603 H 1 UNL1111111111 0.1691 17 H -2.9179 1.7057 -0.7699 H 1 UNL1111111111 0.1701 18 H 3.1184 -1.4535 0.6216 H 1 UNL1111111111 0.1448 19 H -0.1511 -2.0106 0.0847 H 1 UNL1111111111 0.3622 20 H -0.2917 -0.4560 2.0749 H 1 UNL1111111111 0.3364 21 H 2.8382 1.5322 -1.1511 H 1 UNL1111111111 0.3449 22 H -4.0830 -0.8160 -0.7588 H 1 UNL1111111111 0.3334 @BOND 1 1 7 1 2 1 19 1 3 2 8 1 4 2 20 1 5 3 9 1 6 3 21 1 7 4 10 2 8 5 11 1 9 5 22 1 10 6 12 2 11 7 8 1 12 7 9 1 13 7 13 1 14 8 10 1 15 8 14 1 16 9 12 1 17 9 15 1 18 10 11 1 19 11 16 1 20 11 17 1 21 12 18 1