PUBCHEM-ZINC05966506 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.2900 1.0890 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 1.1490 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 1.5570 3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 3.4100 2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 2.9430 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 3.4810 4.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 4.9940 5.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 5.3560 6.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 4.5010 7.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 6.7150 6.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 7.1810 7.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 8.4570 7.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 9.0670 9.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 10.3870 9.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 10.4150 10.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 9.1090 11.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 8.2800 10.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 8.4980 12.0800 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.6850 9.2560 12.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 7.2730 12.0390 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4600 0.0070 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 1.5910 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 1.3080 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 1.6250 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 0.0650 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 1.0340 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 1.3600 4.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 4.4970 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 2.9320 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 3.1730 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 3.5220 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 2.9830 5.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 3.0980 4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 5.3550 5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 5.5110 4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 7.3690 5.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 9.1290 7.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 11.2320 9.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 11.2730 11.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.5000 1.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 3.0560 3.6020 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1040 3.5350 3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 40 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 41 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 41 1 M END