PUBCHEM-ZINC05979259 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.9220 0.9250 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 0.4200 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 1.3210 -1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 2.0410 -2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 1.3540 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 2.7090 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 2.5840 2.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 2.9030 4.0420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1930 2.2710 3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 2.4430 5.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 2.3180 6.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 2.6880 7.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 3.9610 7.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 4.2750 8.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 3.4170 8.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 2.1860 7.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 1.7770 7.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 1.8150 7.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 2.0590 4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 1.7480 5.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 2.1190 3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 1.7650 2.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 4.3700 4.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 5.3890 4.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 6.7340 4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 7.0770 4.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 6.0760 4.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 4.7320 4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 6.4550 4.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 0.2040 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 1.8790 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 1.0660 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 0.2760 -1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -0.5270 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 1.7830 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 0.2560 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 3.1000 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 1.6020 -3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 1.9830 -3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 1.0460 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 0.5630 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 3.4390 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 3.1030 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 4.7000 7.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 5.2550 8.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 1.5120 7.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 0.7700 6.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1890 1.8050 8.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 5.1500 3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 7.5140 3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 8.1220 4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 3.9640 4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 5.6790 4.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 1.4420 -0.5210 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1140 2.3720 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 54 1 0 0 0 0 4 37 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 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 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 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END