PUBCHEM-ZINC05631634 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 35 0 0 1 0 0 0 0 0999 V2000 0.0530 1.6980 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 1.2710 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 2.2740 -0.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 0.0750 -1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -1.0540 -1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -1.1290 -1.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -2.0020 -2.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -3.2030 -3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -4.0250 -3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -3.6980 -4.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -5.1360 -4.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -6.1080 -5.3430 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4290 -5.5670 -6.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -7.2170 -4.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 -6.7370 -3.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 -7.8870 -3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 -8.9850 -3.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9000 -7.5930 -3.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5040 -8.3150 -2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2940 -6.6850 -3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -6.8340 -6.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -6.7350 -5.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 1.3050 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 2.7890 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 1.3760 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -0.1240 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 1.9500 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -1.9020 -2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -2.9150 -3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -3.7830 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -5.3540 -4.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -8.0420 -5.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -7.6450 -3.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -6.0590 -3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -6.2000 -4.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -7.4080 -7.2470 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 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 M CHG 1 36 -1 M END