PUBCHEM-ZINC05501042 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 1.5510 2.0950 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 0.5670 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -0.0100 2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 0.0000 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 0.4480 -1.1780 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3960 1.5370 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -0.1840 -2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -1.3080 -2.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 0.5400 -3.5230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -0.1650 -4.7520 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7400 -1.1440 -4.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 0.6360 -5.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -0.1410 -7.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -0.2900 -8.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 0.0950 -8.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -1.1330 -9.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -1.4330 -10.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -1.5090 -8.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -2.1700 -9.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -0.9100 -7.5800 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8240 -1.0100 -6.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 -0.4620 -4.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 -0.2450 -3.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 2.5380 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 2.4670 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 2.4640 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 0.2520 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 0.2770 2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -1.1040 2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 0.3490 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -1.0970 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 0.2780 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 1.5540 -3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 1.0040 -5.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 1.5150 -6.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -0.8870 -5.7600 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8410 0.0210 -1.3070 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9940 -0.9490 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 0.6380 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 -0.0240 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 37 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 M CHG 1 20 1 M CHG 1 36 -1 M CHG 1 37 1 M END