ChEBI Marvin 09080510182D 28 31 0 0 1 0 999 V2000 3.1658 -4.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4291 -4.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4291 -5.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1658 -6.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 -5.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5957 -6.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3106 -5.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3106 -4.8389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5957 -4.4272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8807 -4.8606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5957 -3.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3106 -3.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0255 -3.6040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0255 -4.4272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4771 -4.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4771 -3.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7405 -3.1706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0255 -2.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 -4.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7405 -2.3474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3106 -3.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0255 -5.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5957 -5.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1921 -2.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0039 -1.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6925 -6.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4554 -1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4554 -1.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 13 1 0 0 0 0 17 13 1 0 0 0 0 13 18 1 1 0 0 0 14 13 1 0 0 0 0 8 14 1 0 0 0 0 15 14 1 0 0 0 0 14 22 1 6 0 0 0 10 9 1 0 0 0 0 8 9 1 0 0 0 0 11 9 1 0 0 0 0 9 23 1 6 0 0 0 7 8 1 0 0 0 0 8 21 1 1 0 0 0 5 10 1 0 0 0 0 10 19 1 1 0 0 0 1 10 1 0 0 0 0 11 12 1 0 0 0 0 16 15 1 0 0 0 0 6 7 1 0 0 0 0 4 5 2 0 0 0 0 6 5 1 0 0 0 0 16 17 1 0 0 0 0 17 20 1 1 0 0 0 2 1 1 0 0 0 0 27 20 1 0 0 0 0 25 20 1 0 0 0 0 3 4 1 0 0 0 0 3 2 1 0 0 0 0 24 27 2 0 0 0 0 26 3 2 0 0 0 0 27 28 1 0 0 0 0 M END