@MOLECULE d-3-deoxyglucosone 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5102 1.6290 -0.7938 O.3 1 UNL1111111111 -0.5788 2 O 1.6227 -1.6703 -0.3450 O.3 1 UNL1111111111 -0.5754 3 O 3.1474 -0.0791 1.2953 O.3 1 UNL1111111111 -0.5349 4 O -1.9611 1.5518 0.3389 O.2 1 UNL1111111111 -0.4292 5 O -3.6953 -1.1405 -0.2192 O.2 1 UNL1111111111 -0.3599 6 C 0.5705 0.4155 -0.0751 C.3 1 UNL1111111111 0.1656 7 C 1.7870 -0.3058 -0.7004 C.3 1 UNL1111111111 0.0678 8 C -0.7210 -0.3922 -0.2731 C.3 1 UNL1111111111 -0.4412 9 C 3.0991 0.2026 -0.0867 C.3 1 UNL1111111111 -0.0563 10 C -1.9109 0.3516 0.2287 C.2 1 UNL1111111111 0.3845 11 C -3.1231 -0.4888 0.6122 C.2 1 UNL1111111111 0.2381 12 H 0.7432 0.6488 1.0010 H 1 UNL1111111111 0.1453 13 H 1.7766 -0.2008 -1.8071 H 1 UNL1111111111 0.1432 14 H -0.6151 -1.3947 0.1971 H 1 UNL1111111111 0.1984 15 H -0.8665 -0.6135 -1.3581 H 1 UNL1111111111 0.2047 16 H 3.1732 1.3078 -0.1389 H 1 UNL1111111111 0.1662 17 H 3.9856 -0.2517 -0.5619 H 1 UNL1111111111 0.1204 18 H -0.2901 2.1364 -0.5208 H 1 UNL1111111111 0.3533 19 H 2.2693 -2.2315 -0.8155 H 1 UNL1111111111 0.3259 20 H 2.7771 -0.9742 1.4641 H 1 UNL1111111111 0.3228 21 H -3.4282 -0.4574 1.6639 H 1 UNL1111111111 0.1394 @BOND 1 1 6 1 2 1 18 1 3 2 7 1 4 2 19 1 5 3 9 1 6 3 20 1 7 4 10 2 8 5 11 2 9 6 7 1 10 6 8 1 11 6 12 1 12 7 9 1 13 7 13 1 14 8 10 1 15 8 14 1 16 8 15 1 17 9 16 1 18 9 17 1 19 10 11 1 20 11 21 1