PUBCHEM-ZINC05134075 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 49 0 0 0 0 0 0 0 0999 V2000 0.1380 1.2150 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.3120 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -1.6780 2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -1.1980 3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 0.2750 4.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 0.9090 4.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 2.2810 2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 2.6830 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 1.6730 0.2670 N 0 5 0 0 0 0 0 0 0 0 0 0 1.0290 2.4500 3.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 2.7160 5.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 2.7020 6.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -2.1120 5.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 -2.0870 5.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -1.2740 4.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 0.4480 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 1.2300 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 0.8530 0.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 1.5400 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 1.6380 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -0.7150 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -0.6950 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -1.7550 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -2.6560 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -0.2340 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -1.9240 4.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 0.1840 5.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 0.9040 4.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 1.0590 4.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 0.2490 3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 1.3090 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 3.0250 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.7510 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 3.6510 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 1.5760 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 3.3160 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -3.0830 4.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -1.9420 6.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 1.0820 2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 0.1160 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -0.7200 1.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -1.0570 4.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 2.2030 3.5990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 2.9700 5.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 -2.9680 6.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 2.3460 1.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 2.8140 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 -2.9140 6.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 3.1340 6.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 41 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 5 42 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 44 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 45 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 44 49 1 0 0 0 0 45 48 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 9 -1 M END