IBS-ZINC02286764 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 0.0210 1.5660 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 0.0360 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.4660 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -1.1410 2.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -0.1630 1.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -0.5590 2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 -1.8850 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.2850 3.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 -1.3650 4.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -0.0430 4.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 0.3640 3.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -1.7970 6.2520 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6690 -2.9620 6.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 -0.9870 7.1420 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4580 -0.4470 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 0.0190 -1.0800 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -1.8460 0.0690 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 0.0430 1.2040 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -0.5000 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 -0.0580 -1.2690 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -1.8990 -1.2220 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0340 -2.3720 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 1.9100 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 1.9290 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 1.9480 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -2.6040 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -3.3180 4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 0.6740 5.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 1.3980 3.4670 H 0 0 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 15 1 0 0 0 0 2 19 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 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 12 1 M CHG 1 14 -1 M END