ChEBI 28 31 0 0 1 0 0 0 0 0 22 V2000 27.5419 -30.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3745 -31.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3745 -32.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5419 -33.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6717 -32.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8266 -33.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0066 -32.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0066 -31.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8266 -30.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6717 -31.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8266 -29.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0066 -28.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1364 -29.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1364 -30.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4043 -31.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1575 -30.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4043 -29.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1364 -28.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6717 -30.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8311 -27.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1367 -27.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1364 -32.1347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0192 -30.1136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.8266 -32.1347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.7350 -28.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2709 -33.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6782 -33.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.0736 -26.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 13 1 0 0 0 0 17 13 1 0 0 0 0 12 13 1 0 0 0 0 13 18 1 1 0 0 0 8 14 1 0 0 0 0 15 14 1 0 0 0 0 14 22 1 6 0 0 0 11 9 1 0 0 0 0 10 9 1 0 0 0 0 8 9 1 0 0 0 0 9 24 1 6 0 0 0 7 8 1 0 0 0 0 8 23 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 16 17 1 0 0 0 0 17 20 1 1 0 0 0 17 25 1 6 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 1 0 0 0 0 6 5 1 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 3 2 1 0 0 0 0 21 20 1 0 0 0 0 3 26 1 6 0 0 0 5 27 1 6 0 0 0 28 20 2 0 0 0 0 M ZZC 1 1 M ZZC 2 2 M ZZC 3 3 M ZZC 4 4 M ZZC 5 5 M ZZC 6 6 M ZZC 7 7 M ZZC 8 8 M ZZC 9 9 M ZZC 10 10 M ZZC 11 11 M ZZC 12 12 M ZZC 13 13 M ZZC 14 14 M ZZC 15 15 M ZZC 16 16 M ZZC 17 17 M ZZC 18 18 M ZZC 19 19 M ZZC 20 20 M ZZC 21 21 M END