IFLAB-ZINC02722128 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 2.8390 0.7270 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -0.5790 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -1.3660 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -2.5420 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -2.9610 -0.2350 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5230 -2.2340 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -1.0180 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -2.8990 -2.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -2.6040 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -4.0680 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -4.0880 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -5.0990 0.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -4.8610 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -3.8020 2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -5.9090 3.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -5.4240 4.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -6.2540 5.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -5.8470 6.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -6.6920 7.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -7.9420 7.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -8.3490 6.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -7.5110 5.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -5.0940 -1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -5.6000 -3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -6.5560 -3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -6.8360 -1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -5.8660 -0.6680 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 0.5500 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 1.4140 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 1.1600 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -1.0450 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -3.1490 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -0.4280 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -5.9710 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 -6.8170 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -6.1300 3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -4.8700 6.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -6.3760 8.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -8.6010 8.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -9.3260 6.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -7.8310 4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -5.2800 -3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 -7.0420 -4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -7.5550 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 5 1 M END