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 46 47 48 49 50 51 52 53 54 55 56 57
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$RXN
ISIS 081120061023
2 1
$MOL
-ISIS- 08110610232D
5 4 0 0 0 0 0 0 0 0999 V2000
-2.0042 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0
-1.4340 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0
-0.8639 -0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4340 0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 1 0 0
-2.0042 -1.5917 0.0000 N 0 0 0 0 0 0 0 0 0 4 0 0
1 2 1 0 0 0 0
2 4 2 0 0 0 0
2 3 1 0 0 0 0
1 5 1 0 0 0 0
M END
$MOL
-ISIS- 08110610232D
5 4 0 0 0 0 0 0 0 0999 V2000
2.1792 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 7 0 0
2.7493 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 6 0 0
3.3194 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7493 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 5 0 0
2.1792 -1.5625 0.0000 N 0 0 0 0 0 0 0 0 0 8 0 0
1 2 1 0 0 0 0
2 4 2 0 0 0 0
2 3 1 0 0 0 0
1 5 1 0 0 0 0
M END
$MOL
-ISIS- 08110610232D
8 8 0 0 0 0 0 0 0 0999 V2000
8.3875 -0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0
8.3875 -1.4667 0.0000 N 0 0 0 0 0 0 0 0 0 4 0 0
8.9579 -1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 6 0 0
9.5282 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 7 0 0
9.5282 -0.8083 0.0000 N 0 0 0 0 0 0 0 0 0 8 0 0
8.9579 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0
8.9579 0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 1 0 0
8.9579 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 5 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 2 1 0 0 0 0
6 7 2 0 0 0 0
1 6 1 0 0 0 0
3 8 2 0 0 0 0
M END
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