PUBCHEM-ZINC06256768 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 0 0 0 0 0999 V2000 -0.0240 1.6040 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 0.0780 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4210 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -0.4390 1.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3940 0.0080 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.0860 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -1.0930 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -1.9020 1.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -2.5450 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -1.9700 1.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -4.0620 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -4.7180 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -6.2390 2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -6.7510 1.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -6.1610 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -4.6370 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -7.7360 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -8.2010 1.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -8.2540 -0.8820 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7090 -7.4040 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -9.2400 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -9.5840 -2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -10.5860 -2.3540 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -10.8620 -4.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 2.0880 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 1.9230 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 1.9790 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -0.3100 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -0.0260 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -1.5140 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -0.1040 -2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -2.4050 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -4.2840 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -4.3550 3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -4.4310 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -6.5540 2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -6.6770 2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -6.4730 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -6.5300 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -4.3340 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -4.2330 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -8.8130 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -10.1550 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -10.1500 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -8.6700 -2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -11.4020 -4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -9.9090 -4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -11.4630 -4.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 1.1160 1.3400 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.1120 -8.9230 -1.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -8.2340 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 -9.5790 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 49 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 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 21 1 0 0 0 0 19 50 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 49 -1 M END