1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45
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$RXN
ISIS 081120061028
2 1
$MOL
-ISIS- 08110610282D
2 1 0 0 0 0 0 0 0 0999 V2000
-1.7833 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0
-1.7875 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0
1 2 2 0 0 0 0
M END
$MOL
-ISIS- 08110610282D
4 3 0 0 0 0 0 0 0 0999 V2000
1.4250 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 5 0 0
2.1395 0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0
1.4208 -0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 6 0 0
2.1333 -1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0
1 3 1 0 0 0 0
1 2 2 0 0 0 0
3 4 2 0 0 0 0
M END
$MOL
-ISIS- 08110610282D
6 6 0 0 0 0 0 0 0 0999 V2000
8.6625 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0
8.6625 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0
9.3745 -2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0
10.0865 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 6 0 0
10.0865 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 5 0 0
9.3745 -0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0
1 2 1 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
M END
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