PUBCHEM-ZINC06172914 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -2.5260 2.4200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8940 -2.8020 3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -2.7300 4.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -3.0870 5.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -3.5160 6.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -3.5920 5.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -3.2380 4.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -3.2020 3.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -3.4460 4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -2.7660 2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -2.5530 1.1580 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -3.0650 1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -2.9620 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 -2.5800 -0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 -3.2950 1.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8790 -3.2000 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1140 -3.4920 0.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9910 -3.3410 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4820 -2.8980 -1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7470 -2.6720 -1.1820 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4340 -3.6400 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9120 -4.0970 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2550 -4.3740 1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1260 -4.1970 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6570 -3.7430 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3150 -3.4700 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -3.9670 7.8960 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -3.8190 8.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 -3.2930 8.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -5.5850 7.8970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -2.3960 3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -3.0310 5.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -3.9280 6.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -2.4170 2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 -4.0970 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 -3.6000 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0400 -2.7150 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2330 -4.2350 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6270 -4.7280 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1770 -4.4140 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3420 -3.6070 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9490 -3.1200 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -6.0880 7.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -6.0290 8.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 M CHG 1 5 1 M END