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|
$RXN
Marvin 040401140205
1 1
$MOL
Mrv0541 04041402052D
2 1 0 0 0 0 999 V2000
-5.5295 -2.8964 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0
-4.8150 -2.4838 0.0000 N 0 0 0 0 0 0 0 0 0 2 0 0
1 2 1 0 0 0 0
V 2 amine
M RGP 1 1 1
M END
$MOL
Mrv0541 04041402052D
11 11 0 0 0 0 999 V2000
4.3161 -3.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0296 -2.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0256 -2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3136 -1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5989 -2.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6006 -2.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7377 -1.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4546 -2.0298 0.0000 N 0 0 0 0 0 0 0 0 0 2 0 0
5.7331 -0.7964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1667 -1.6133 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0
4.3172 -4.1066 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0
5 6 2 0 0 0 0
5 1 1 0 0 0 0
3 7 1 0 0 0 0
2 3 1 0 0 0 0
7 8 1 0 0 0 0
1 2 2 0 0 0 0
7 9 2 0 0 0 0
3 4 2 0 0 0 0
8 10 1 0 0 0 0
4 6 1 0 0 0 0
1 11 1 0 0 0 0
M RGP 2 10 1 11 2
M END
|
