@MOLECULE 4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.7443 1.3607 0.1935 C.3 1 UNL1111111111 0.3358 2 C -1.8357 0.3208 -0.1354 C.3 1 UNL1111111111 0.0626 3 O -2.9024 0.6679 0.7206 O.3 1 UNL1111111111 -0.5519 4 C -1.4017 -1.1339 0.1729 C.3 1 UNL1111111111 0.1117 5 O -2.1746 -1.9055 -0.7260 O.3 1 UNL1111111111 -0.5583 6 C 0.0623 -1.3325 -0.0442 C.2 1 UNL1111111111 -0.2439 7 C 0.8859 -0.3232 0.2623 C.2 1 UNL1111111111 0.1090 8 O 0.4194 0.8329 0.8184 O.2 1 UNL1111111111 -0.3619 9 C 2.3547 -0.3342 0.0853 C.2 1 UNL1111111111 0.6184 10 O 2.7987 0.8825 -0.3171 O.3 1 UNL1111111111 -0.5354 11 O 3.1002 -1.2678 0.2165 O.2 1 UNL1111111111 -0.4671 12 O -0.3685 1.9219 -1.0319 O.3 1 UNL1111111111 -0.5857 13 H -1.0618 2.1574 0.9043 H 1 UNL1111111111 0.1712 14 H -2.1605 0.4132 -1.2021 H 1 UNL1111111111 0.1765 15 H -3.7116 0.1701 0.4729 H 1 UNL1111111111 0.3347 16 H -1.6986 -1.4146 1.2159 H 1 UNL1111111111 0.1591 17 H -1.9056 -2.8452 -0.7147 H 1 UNL1111111111 0.3247 18 H 0.3957 -2.2820 -0.4513 H 1 UNL1111111111 0.1855 19 H 3.7795 0.9086 -0.4671 H 1 UNL1111111111 0.3586 20 H 0.5984 2.1128 -1.0538 H 1 UNL1111111111 0.3563 @BOND 1 1 2 1 2 1 8 1 3 1 12 1 4 1 13 1 5 2 3 1 6 2 4 1 7 2 14 1 8 3 15 1 9 4 5 1 10 4 6 1 11 4 16 1 12 5 17 1 13 6 7 2 14 6 18 1 15 7 8 1 16 7 9 1 17 9 10 1 18 9 11 2 19 10 19 1 20 12 20 1