PUBCHEM-ZINC00597677 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 0 0 0 0 0 0999 V2000 -0.2270 1.4550 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -0.0420 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -0.7720 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -2.1720 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.7740 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -1.9940 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -0.6410 -1.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -2.5630 -2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -1.8490 -3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -2.3670 -5.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -3.6140 -5.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -4.3380 -4.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -3.8180 -2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -3.0330 2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -3.0260 3.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -3.8730 4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -4.7510 4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -4.7750 3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -3.9220 2.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -5.7120 4.2970 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1780 -6.3820 5.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -5.7810 3.6190 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3020 -0.0500 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -0.0700 3.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 0.6480 2.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 1.5690 3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 0.9000 5.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 1.1120 7.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 2.0930 8.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 3.1450 8.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 3.9030 7.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 3.0250 6.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 1.9190 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 1.8050 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 1.7940 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -3.8570 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -0.8700 -3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -1.7910 -5.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -4.0180 -6.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -5.3090 -4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -4.4090 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -2.3700 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -3.8570 4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -5.4100 5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -3.9440 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 0.5420 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 2.0760 3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 2.3160 3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 0.5310 5.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 0.0600 5.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 0.3380 7.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 0.6570 7.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 1.5700 9.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 2.5230 8.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 4.7010 7.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 4.3770 7.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 2.5860 6.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 3.5990 5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 1.8610 6.1120 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2190 2.2560 5.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 59 1 0 0 0 0 29 30 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 31 32 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 59 1 M END