IFLAB-ZINC04158450 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 0.2810 0.8350 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -0.6800 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -1.3740 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -1.1180 -1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 -0.5520 -1.8070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8020 0.5410 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -0.9680 -3.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -2.1360 -3.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -1.0550 -0.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -0.3540 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 0.8320 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8050 1.5780 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 1.1630 2.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 -0.0080 2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -0.7490 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -1.9480 2.1350 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6990 -2.8860 1.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -1.9570 3.3520 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9060 1.9800 2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8270 2.7470 2.2790 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 2.8400 3.6910 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6160 1.2160 3.8050 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 1.3530 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 1.2220 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 1.1040 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -1.0010 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -1.0890 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -2.4630 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -1.1100 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -2.2170 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -0.8260 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 -2.0290 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 1.1910 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 2.4870 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5890 -0.3370 3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 -0.0660 -3.5020 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 36 -1 M END