PUBCHEM-ZINC05167378 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 -2.0310 2.3850 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 0.9320 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 0.5810 -0.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 0.0880 0.9310 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 0.4430 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -1.3830 0.8620 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5110 -1.7230 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6170 -1.9500 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -1.6970 -1.8170 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -2.4210 -2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 -2.3960 -3.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 -2.9400 -4.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1010 -2.9240 -6.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4100 -3.3770 -6.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4270 -2.6020 -7.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6350 -3.3880 -7.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4780 -3.7830 -8.8960 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.3930 -1.2250 -6.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3580 -0.3480 -7.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3760 -0.6000 -8.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0230 1.0700 -7.1270 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.3220 1.5000 -7.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0980 2.0110 -6.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9930 1.5890 -5.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3710 0.6840 -4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9300 2.6000 -5.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -1.9950 2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -1.2010 3.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 2.9870 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 2.5550 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 2.6940 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -3.0300 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -1.4780 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9360 -3.4520 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6930 -1.8420 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -1.3690 -4.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -2.9970 -4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2960 -3.9640 -4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9670 -2.3320 -4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 -1.9270 -6.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -3.5950 -6.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5160 -4.4580 -6.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5900 -0.8180 -6.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0980 3.0230 -7.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0950 1.6090 -6.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5100 0.0820 -4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6980 1.2790 -3.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1880 0.0020 -4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6930 3.2530 -6.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2600 3.2340 -4.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 2.0920 -5.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5840 -3.6060 -6.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -3.1900 2.4280 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 52 2 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 M CHG 1 17 -1 M CHG 1 53 -1 M END