@MOLECULE 4-deoxy-alpha-l-erythro-hex-4-enopyranuronic acid 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3045 2.0902 -0.4469 O.3 1 UNL1111111111 -0.6000 2 C -0.6315 1.3497 0.6986 C.3 1 UNL1111111111 0.2999 3 C -1.8490 0.4505 0.3520 C.3 1 UNL1111111111 0.0242 4 O -2.3364 0.6677 -0.9475 O.3 1 UNL1111111111 -0.5389 5 C -1.4954 -1.0664 0.4629 C.3 1 UNL1111111111 0.1144 6 O -2.4246 -1.8457 -0.2371 O.3 1 UNL1111111111 -0.5262 7 C -0.1078 -1.3237 -0.0409 C.2 1 UNL1111111111 -0.1837 8 C 0.8302 -0.4298 0.2887 C.2 1 UNL1111111111 0.0520 9 O 0.5150 0.6258 1.1118 O.2 1 UNL1111111111 -0.3588 10 C 2.2461 -0.4384 -0.1232 C.2 1 UNL1111111111 0.6245 11 O 2.6438 0.8193 -0.4570 O.3 1 UNL1111111111 -0.5601 12 O 2.9892 -1.3760 -0.2213 O.2 1 UNL1111111111 -0.4548 13 H -0.7905 2.0544 1.5431 H 1 UNL1111111111 0.1568 14 H -2.7215 0.6909 1.0020 H 1 UNL1111111111 0.1606 15 H -1.6622 1.1393 -1.4994 H 1 UNL1111111111 0.3507 16 H -1.6015 -1.4242 1.5193 H 1 UNL1111111111 0.1673 17 H -2.7150 -1.3753 -1.0585 H 1 UNL1111111111 0.3416 18 H 0.0548 -2.2163 -0.6392 H 1 UNL1111111111 0.1960 19 H 0.6704 2.0657 -0.6147 H 1 UNL1111111111 0.3710 20 H 3.5871 0.8663 -0.7590 H 1 UNL1111111111 0.3636 @BOND 1 1 2 1 2 1 19 1 3 2 3 1 4 2 9 1 5 2 13 1 6 3 4 1 7 3 5 1 8 3 14 1 9 4 15 1 10 5 6 1 11 5 7 1 12 5 16 1 13 6 17 1 14 7 8 2 15 7 18 1 16 8 9 1 17 8 10 1 18 10 11 1 19 10 12 2 20 11 20 1