PUBCHEM-ZINC05118768 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -1.6190 0.6460 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 1.4210 3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 3.1230 1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 3.5620 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 5.0050 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 5.4060 -0.8680 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 5.8850 -0.9010 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8030 5.0550 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 6.0950 -2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 5.7910 -3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 5.3290 -2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 4.9450 -2.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 5.8430 -4.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5960 6.6420 -2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 7.7380 -3.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 5.9150 -2.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1200 6.4300 -3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1420 5.4610 -2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6220 4.2280 -2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9150 4.2450 -2.4370 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4300 7.1210 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 8.2480 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 9.3790 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 9.4130 1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7670 8.3030 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 7.1610 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 8.3250 2.5250 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2620 9.4210 2.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4300 7.2380 2.8050 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9020 -0.3180 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 0.6950 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 0.8010 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 1.4380 3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 0.4360 4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 2.1800 4.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 3.1140 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 3.7940 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 2.9130 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 3.4730 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 5.6960 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 5.0930 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 5.5480 -4.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3060 7.4640 -3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2040 5.6570 -2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1640 3.3150 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 8.2560 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 10.2380 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 10.3020 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 6.3040 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 1.7270 2.3910 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0260 1.7090 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 50 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 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 7 21 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 50 1 M END