PUBCHEM-ZINC05896408 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 -2.3410 0.4740 2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 0.3990 3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 0.2160 3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -0.1740 3.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -1.5850 2.6790 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5280 -2.4770 3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -3.8450 3.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -4.3360 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 -4.3830 3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 -3.3870 3.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 -2.1820 3.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 -1.1560 2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 -0.7780 1.4830 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5390 -0.2410 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6090 0.0720 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 0.3600 -0.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 1.1330 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 0.9330 -2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 2.6090 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 -1.9780 0.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 -1.6920 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6170 -3.6870 4.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3870 -2.8200 4.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -5.0340 4.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6680 -5.2970 5.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9470 -6.0760 4.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 -7.2300 4.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 -5.6950 3.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 -6.7050 3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -1.9970 1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -1.5840 2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -0.5170 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 0.9440 3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 1.0710 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 1.4030 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -0.2690 4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -0.3480 4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 1.2910 4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 0.4690 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 -0.0220 3.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6830 -0.2790 3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7640 -1.5340 3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7270 0.9970 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -0.4890 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 0.7620 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 1.2590 -2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6430 1.4850 -3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9920 -0.1290 -2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 2.9680 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3550 2.7780 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 3.2210 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -6.6690 2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -7.7110 3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -6.5000 4.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -1.5150 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -3.0760 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -1.7620 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -2.1280 3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.1000 2.9690 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 0.4300 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 59 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 59 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 5 1 M CHG 1 59 1 M END