$MDL REV 1 0602101212
$MOL
$HDR
Rgroup query file (RGFile)
CDK 06021012122D
$END HDR
$CTAB
8 8 0 0 0 0 0 0 0 0999 V2000
1.0992 1.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3982 1.0884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3982 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0992 -1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1999 -0.4116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1999 1.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6972 1.8384 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0
-1.6999 -0.4116 0.0000 R# 0 0 0 0 0 0 0 0 0 0 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
5 6 1 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
5 8 1 0 0 0 0
M RGP 2 7 4 8 1
M LOG 1 1 0 0 >0
M LOG 1 4 0 0 >0
M END
$END CTAB
$RGP
1
$CTAB
6 6 0 0 0 0 0 0 0 0999 V2000
-0.4008 -3.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8982 -3.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8982 -5.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4008 -6.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6999 -5.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6999 -3.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
M APO 1 1 1
M END
$END CTAB
$CTAB
7 7 0 0 0 0 0 0 0 0999 V2000
4.1972 -3.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4963 -4.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4963 -5.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1972 -6.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8982 -5.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8982 -4.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5569 -3.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
M APO 1 7 1
M END
$END CTAB
$END RGP
$RGP
4
$CTAB
3 2 0 0 0 0 0 0 0 0999 V2000
-1.6999 -9.9722 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.6999 -8.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3117 -11.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
M APO 1 1 1
M END
$END CTAB
$CTAB
3 2 0 0 0 0 0 0 0 0999 V2000
0.6883 -9.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9874 -8.4722 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7115 -10.2454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
M APO 1 1 1
M END
$END CTAB
$CTAB
3 2 0 0 0 0 0 0 0 0999 V2000
3.9874 -9.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9874 -8.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9960 -11.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
M APO 1 1 1
M END
$END CTAB
$END RGP
$END MOL