PUBCHEM-ZINC05361273 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.6960 0.4610 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -0.3280 0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -0.8910 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -0.7930 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -1.4020 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -2.1130 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 -2.2200 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -1.6150 1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -1.6720 2.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -2.3600 3.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -2.7590 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -4.1280 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2900 -4.7300 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 -6.1000 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6830 -6.6800 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8370 -5.8810 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7060 -4.5180 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4380 -3.9360 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2850 -2.5780 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0660 -2.0100 0.3080 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.0320 -0.5470 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 0.2770 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2030 -0.3710 -1.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0370 -6.5230 -0.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2150 -5.7270 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8950 -8.0050 -1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7590 -8.8430 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 0.8510 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -0.1450 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 1.3170 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -0.2470 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -1.3070 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -2.7820 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -2.2870 4.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -1.8940 4.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -3.4220 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -4.7190 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 -6.6990 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5860 -3.8870 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1410 -1.9130 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9310 -0.3000 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -0.3180 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0610 -6.3870 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3940 -5.2720 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1740 -4.9700 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -8.5040 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1800 -8.9090 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1180 -9.8490 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 1.5110 -0.5230 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 24 25 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M CHG 1 20 1 M CHG 1 49 -1 M END