HMDB0246956 RDKit 3D 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[[(aminocarbonyl)oxy]... 45 47 0 0 0 0 0 0 0 0999 V2000 -3.5052 -2.9181 0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3265 -1.6789 0.0961 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1658 -0.6528 0.2583 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0296 0.5930 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7876 1.2388 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8107 2.5173 -0.2112 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5801 0.5765 -0.4303 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4088 1.3400 -0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 0.9627 -1.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0544 0.9772 -3.2096 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4346 0.5966 -1.2551 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7877 0.0664 -1.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6081 0.5089 -2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7817 0.1789 -2.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 1.3695 -3.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1913 -0.7392 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5579 -1.2883 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2467 -0.9140 0.9132 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5453 -1.3532 1.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3097 -1.0320 2.2426 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0806 -2.0687 0.2045 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3752 -1.2507 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.5323 0.9791 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8386 0.9746 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2395 1.4125 0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4826 0.9241 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3181 2.0094 0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5198 3.1004 0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3091 2.7037 0.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5621 -3.2193 0.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8898 -3.6679 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -2.8256 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5226 -0.4530 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5907 2.4324 -0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 0.9775 -4.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2182 -1.1587 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4065 -2.4279 -0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9456 -1.7648 2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1994 -0.0848 2.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 -0.9283 1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 -2.3591 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 1.8393 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7860 -0.1262 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3835 1.9949 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8537 4.1493 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 2 0 16 22 1 0 22 23 1 0 23 24 1 0 4 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 24 8 1 0 29 25 1 0 24 11 1 0 1 30 1 0 1 31 1 0 1 32 1 0 7 33 1 0 8 34 1 0 15 35 1 0 17 36 1 0 17 37 1 0 20 38 1 0 20 39 1 0 22 40 1 0 22 41 1 0 24 42 1 0 26 43 1 0 27 44 1 0 28 45 1 0 M END