PUBCHEM-ZINC06714103 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.1990 -0.3020 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 0.0320 3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 1.9880 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 2.4960 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 2.0460 0.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 2.6220 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 3.4220 -1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 3.9660 -2.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 3.7060 -2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 2.9120 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0740 2.3600 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4560 2.6160 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3300 3.6720 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4790 4.3550 -3.4920 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5400 5.3970 -3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 4.2670 -4.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7010 3.0120 -5.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 2.9150 -6.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 3.9590 -7.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 5.1630 -7.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 5.3910 -5.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4500 6.7130 -5.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4420 7.7590 -6.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0720 7.5130 -7.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 6.2210 -8.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -1.3650 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -0.0780 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -0.0170 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 0.2770 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -1.0460 3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 0.5520 3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 2.2250 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 2.4310 2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 3.5920 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 2.1100 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 3.6450 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 4.6010 -3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4370 1.7330 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6580 1.6320 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7170 2.5650 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3800 3.3650 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2510 4.6500 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6720 2.1170 -4.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0650 1.9650 -7.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7460 6.9720 -4.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7230 8.7640 -6.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0610 8.3190 -8.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 6.0350 -9.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 0.4820 1.9300 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1390 0.2780 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8940 3.8420 -3.3590 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.9690 2.9420 -3.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5280 4.4830 -3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 49 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 51 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 49 1 M CHG 1 51 1 M END