@MOLECULE (5s,6s)-6-amino-5-[(1-carboxyvinyl)oxy]-1,3-cyclohexadiene-1-carboxylic acid 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.1731 -0.0706 -0.4520 O.2 1 UNL1111111 -0.2964 2 O 3.3477 -1.1746 -1.0820 O.3 1 UNL1111111 -0.5740 3 O 3.8430 -1.2266 1.0868 O.2 1 UNL1111111 -0.4895 4 O -2.6145 -2.0901 0.0602 O.3 1 UNL1111111 -0.5031 5 O -4.4146 -0.8678 0.5458 O.2 1 UNL1111111 -0.4890 6 N 1.7715 1.0476 -1.9327 N.3 1 UNL1111111 -0.6347 7 C 1.0896 0.2836 -0.8659 C.3 1 UNL1111111 0.0519 8 C -0.2411 1.0257 -0.5505 C.3 1 UNL1111111 0.0702 9 C 1.9665 0.0813 0.3418 C.2 1 UNL1111111 -0.2052 10 C -0.2760 1.7779 0.7432 C.2 1 UNL1111111 -0.1552 11 C 1.7495 0.6849 1.5254 C.2 1 UNL1111111 -0.0391 12 C 0.6413 1.6033 1.7047 C.2 1 UNL1111111 -0.1655 13 C 3.1195 -0.8189 0.2144 C.2 1 UNL1111111 0.6362 14 C -2.4862 0.2469 -0.3425 C.2 1 UNL1111111 0.1466 15 C -3.2829 -0.9199 0.1353 C.2 1 UNL1111111 0.6094 16 C -3.0878 1.4083 -0.6108 C.2 1 UNL1111111 -0.4075 17 H 0.8138 -0.7320 -1.2912 H 1 UNL1111111 0.1923 18 H -0.5175 1.6719 -1.4206 H 1 UNL1111111 0.1666 19 H -1.1197 2.4545 0.8676 H 1 UNL1111111 0.1601 20 H 2.4007 0.5059 2.3894 H 1 UNL1111111 0.1759 21 H 0.5922 2.1413 2.6522 H 1 UNL1111111 0.1632 22 H 2.4840 0.4826 -2.3762 H 1 UNL1111111 0.2719 23 H 2.2009 1.8886 -1.5790 H 1 UNL1111111 0.2498 24 H 4.1103 -1.7979 -1.1858 H 1 UNL1111111 0.3626 25 H -2.5950 2.2913 -0.9759 H 1 UNL1111111 0.1659 26 H -4.1512 1.5558 -0.4757 H 1 UNL1111111 0.1854 27 H -3.1550 -2.8597 0.3825 H 1 UNL1111111 0.3512 @BOND 1 22 6 1 2 6 23 1 3 6 7 1 4 18 8 1 5 17 7 1 6 24 2 1 7 2 13 1 8 25 16 1 9 7 8 1 10 7 9 1 11 16 26 1 12 16 14 2 13 8 1 1 14 8 10 1 15 1 14 1 16 14 15 1 17 4 15 1 18 4 27 1 19 15 5 2 20 13 9 1 21 13 3 2 22 9 11 2 23 10 19 1 24 10 12 2 25 11 12 1 26 11 20 1 27 12 21 1