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|
$RXN
Marvin 010501151732
1 1
$MOL
Mrv0541 01051517322D
6 5 0 0 1 0 999 V2000
-6.1311 1.1344 0.0000 Br 0 0 0 0 0 0 0 0 0 6 0 0
-6.1311 0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 5 0 0
-6.8456 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0
-7.5601 0.3094 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0
-8.2745 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0
-7.5601 1.1344 0.0000 F 0 0 0 0 0 0 0 0 0 2 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 1 0 0 0
M END
$MOL
Mrv0541 01051517322D
9 8 0 0 1 0 999 V2000
1.4807 0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0
2.1952 0.2210 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0
2.1952 -0.6040 0.0000 F 0 0 0 0 0 0 0 0 0 2 0 0
2.9097 0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0
3.6242 0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 5 0 0
4.3386 0.6334 0.0000 C 0 0 0 0 0 0 0 0 0 7 0 0
5.0531 0.2209 0.0000 C 0 0 1 0 0 0 0 0 0 8 0 0
5.7676 0.6334 0.0000 C 0 0 0 0 0 0 0 0 0 9 0 0
5.0531 -0.6041 0.0000 Cl 0 0 0 0 0 0 0 0 0 10 0 0
1 2 1 0 0 0 0
2 3 1 1 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
7 6 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 1 0 0 0
M END
|
