PUBCHEM-ZINC04098794 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 0 0 1 0 0 0 0 0999 V2000 1.8420 1.8370 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 0.3170 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.3870 -1.3020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1590 -0.0090 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -1.9360 -1.3580 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1790 -2.2780 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -2.4670 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -2.5050 -3.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -2.5060 -3.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -2.4960 -2.8010 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9400 -3.4170 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -2.6440 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -3.8620 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -4.1260 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 -3.0250 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 -1.7300 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 -1.8390 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 -0.7440 -1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 -0.5760 -2.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 -1.6090 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -2.7260 -3.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -1.2450 -2.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -0.0470 -0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 0.9170 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 2.2360 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 2.1620 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 2.2820 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 0.0790 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -0.0370 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -1.8870 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -3.4910 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -2.5550 -4.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -2.5540 -4.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -1.7130 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -2.6550 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 -3.7760 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 -4.7570 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 -5.0970 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -4.1430 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 -3.0290 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2960 -3.9240 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 -0.9030 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -1.4750 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0210 -2.8170 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2030 -1.8030 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 -0.9720 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2620 0.2220 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 0.3520 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -0.5310 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -0.7090 -3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -2.6830 -1.4580 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3110 -3.6610 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 -3.1150 1.8460 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1050 -3.3940 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 -2.1830 1.9600 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 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 51 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 51 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 12 51 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 38 1 0 0 0 0 14 39 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 M CHG 1 51 1 M CHG 1 53 1 M END