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
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$RXN
Mrv1810 071601181652
2 1
$MOL
Mrv1810 07161816522D
3 2 0 0 0 0 999 V2000
2.0546 0.6489 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.2307 0.6057 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0
0.6473 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0
2 1 1 0 0 0 0
3 2 7 0 0 0 0
M MRV SMA 3 [#6,#7;$(*!-*)]
M END
$MOL
Mrv1810 07161816522D
2 1 0 0 0 0 999 V2000
4.8875 0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0
4.0625 0.5580 0.0000 O 0 0 0 0 0 0 0 0 0 5 0 0
2 1 1 0 0 0 0
M END
$MOL
Mrv1810 07161816522D
4 3 0 0 0 0 999 V2000
12.1057 0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0
11.2807 0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0
10.8682 1.0188 0.0000 O 0 0 0 0 0 0 0 0 0 5 0 0
10.0432 1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0
1 2 7 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
M MRV SMA 1 [#6,#7;$(*!-*)]
M END
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