PUBCHEM-ZINC04557177 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 1 0 0 0 0 0999 V2000 -0.6730 1.5230 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 0.0720 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -0.3480 1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -0.7510 0.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -2.2060 0.0800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2630 -2.3490 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -2.9220 1.4330 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6230 -2.5180 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -4.4330 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -4.7890 0.6540 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4410 -4.2020 -0.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -2.7730 -0.6720 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3060 -2.3850 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -2.3280 -2.1590 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4790 -2.6330 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -3.0040 -2.9230 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5280 -2.8500 -2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -2.4830 -4.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -3.3010 -5.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 -4.1970 -4.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -4.4250 -3.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 -4.7400 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -0.9090 -2.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -0.5360 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -6.3640 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -6.9790 1.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -4.3320 1.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 -4.3730 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3090 -5.1300 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6770 -5.1210 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5740 -4.3590 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1080 -3.5900 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7390 -3.6060 1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 -2.7480 2.8800 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7290 -2.9580 4.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 -1.8310 2.5740 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3940 -2.7070 1.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -1.7990 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 2.1410 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 1.7880 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 1.7190 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -0.3430 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -4.8530 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -4.8570 2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -1.4440 -4.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -2.5680 -4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6670 -5.7520 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0390 -5.7240 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6320 -4.3650 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8030 -2.9870 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -6.8480 -0.6030 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 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 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 34 1 M CHG 1 36 -1 M CHG 1 51 -1 M END