-INDIGO-01000000002D 11 5 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 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 M RGP 2 9 1 11 3 M END -INDIGO-01000000002D 12 5 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 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 M RGP 4 9 1 11 3 12 1 12 3 M END -INDIGO-01000000002D 12 5 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 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 M RGP 3 9 1 12 1 12 3 M END -INDIGO-01000000002D 12 5 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 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 M RGP 4 1 4 9 1 12 1 12 3 M END -INDIGO-01000000002D 12 5 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 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 M RGP 4 1 4 9 1 12 1 12 3 M END -INDIGO-01000000002D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 12 5 0 0 0 M V30 BEGIN ATOM M V30 1 R# 0.0 0.0 0.0 0 RGROUPS=(1 4) M V30 2 R# 0.0 0.0 0.0 0 RGROUPS=(1 4) M V30 3 N 0.0 0.0 0.0 0 M V30 4 N 0.0 0.0 0.0 0 M V30 5 C 0.0 0.0 0.0 0 M V30 6 N 0.0 0.0 0.0 0 M V30 7 R# 0.0 0.0 0.0 0 M V30 8 R# 0.0 0.0 0.0 0 M V30 9 R# 0.0 0.0 0.0 0 RGROUPS=(1 1) M V30 10 R# 0.0 0.0 0.0 0 M V30 11 N 0.0 0.0 0.0 0 M V30 12 R# 0.0 0.0 0.0 0 RGROUPS=(2 1 3) M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 1 2 3 M V30 3 1 3 4 M V30 4 1 4 5 M V30 5 1 5 6 M V30 END BOND M V30 BEGIN COLLECTION M V30 MDLV30/HILITE ATOMS=(1 2) M V30 END COLLECTION M V30 END CTAB M END 0 1 1 1 $MDL REV 1 0100000000 $MOL $HDR -INDIGO-01000000002D $END HDR $CTAB 6 6 0 0 0 0 0 0 0 0999 V2000 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 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 1 6 1 0 0 0 0 M RGP 2 3 2 6 1 M LOG 1 1 0 0 M LOG 1 2 0 0 M END $END CTAB $RGP 1 $CTAB 1 0 0 0 0 0 0 0 0 0999 V2000 3.8966 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 M END $END CTAB $CTAB 1 0 0 0 0 0 0 0 0 0999 V2000 6.2538 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 M END $END CTAB $END RGP $RGP 2 $CTAB 1 0 0 0 0 0 0 0 0 0999 V2000 3.8966 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 M END $END CTAB $CTAB 1 0 0 0 0 0 0 0 0 0999 V2000 6.2538 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 M END $END CTAB $END RGP $END MOL C%91O%92.[*:2]%92CO%92.[*:1]%92%91 |$;;_R2;;;_R1$,RG:_R1={C},{N},_R2={C},{N}| [*:1]C1C%91CCCC1.[*:2]%91 |$_R1;;;;;;;_R2$,RG:_R1={CCC},_R2={N},LOG={_R1:;;._R2:_R1;H;0,1}| Cl%91.[*]%91(I)Br |RG:_R1={CCCC(CC%91)C%92.[*:1]%91.[*:2]%92 |$;;;;;;;_AP1;_AP2$|},{CCCN(CC%91)C%92.[*:1]%91.[*:2]%92 |$;;;;;;;_AP1;_AP2$|},LOG={_R1:;;1}| $MDL REV 1 0100000000 $MOL $HDR -INDIGO-01000000002D $END HDR $CTAB 6 6 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 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 M RGP 2 3 2 6 1 M AAL 6 2 5 1 1 2 M LOG 1 1 0 0 M LOG 1 2 0 0 M END $END CTAB $RGP 1 $CTAB 1 0 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 M END $END CTAB $CTAB 1 0 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 M END $END CTAB $END RGP $RGP 2 $CTAB 1 0 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 M END $END CTAB $CTAB 1 0 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 M END $END CTAB $END RGP $END MOL $MDL REV 1 0100000000 $MOL $HDR -INDIGO-01000000002D $END HDR $CTAB 8 8 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 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 7 1 0 0 0 0 7 2 1 0 0 0 0 7 8 1 0 0 0 0 M RGP 2 1 1 8 2 M LOG 1 1 0 0 >0 M LOG 1 2 1 1 0,1 M END $END CTAB $RGP 1 $CTAB 3 2 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 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 M END $END CTAB $END RGP $RGP 2 $CTAB 1 0 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 M END $END CTAB $END RGP $END MOL $MDL REV 1 0100000000 $MOL $HDR -INDIGO-01000000002D $END HDR $CTAB 0 0 0 0 0 0 0 0 0 0999 V2000 M LOG 1 1 0 0 M END $END CTAB $RGP 1 $CTAB 6 5 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 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 M END $END CTAB $END RGP $END MOL