PUBCHEM-ZINC05342470 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 0.0630 1.4850 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.0280 0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -0.6260 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -0.7030 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -0.0940 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 -0.8430 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 -2.1850 0.0590 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3180 -2.8160 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -2.0980 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -2.9620 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 -3.0590 -1.3860 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5250 -3.4870 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4860 -4.0920 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 -4.4250 -2.8140 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.2610 -5.4680 -3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6010 -5.8030 -4.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5540 -5.0510 -5.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1300 -3.9640 -4.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7610 -3.6680 -3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9290 -5.3860 -6.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9020 -4.4120 -7.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2570 -4.7280 -9.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6470 -6.0240 -9.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6830 -7.0050 -8.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3260 -6.6880 -7.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8370 -1.8770 -1.7040 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0730 1.9070 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 1.9280 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 1.8070 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -1.3260 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -1.1640 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 0.0920 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 0.9820 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 -0.3790 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -3.8950 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -2.6620 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 -3.9560 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 -2.4850 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1850 -5.0320 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3980 -3.7510 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -6.0250 -2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1060 -6.6460 -5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8740 -3.3410 -5.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1790 -2.8240 -2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5900 -3.3930 -7.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2240 -3.9590 -9.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9230 -6.2690 -10.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9900 -8.0170 -8.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3760 -7.4730 -6.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 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 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 M CHG 1 7 1 M CHG 1 14 1 M CHG 1 26 -1 M END