IBS-ZINC04040155 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0260 1.4220 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.0850 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -0.7860 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -2.1960 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -2.8120 1.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -2.8760 0.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -2.2390 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -0.8330 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -0.1690 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -0.8910 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -2.2830 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -2.9560 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -2.9870 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 -4.4050 -0.0640 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6670 -4.6460 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -4.9460 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5800 -6.0220 -1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6470 -6.5180 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8960 -5.9390 -2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0780 -4.8640 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0120 -4.3710 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 -5.0270 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 -4.3390 2.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -0.0600 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 1.7820 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 1.8000 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 1.7740 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 0.9100 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 -0.3790 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -4.0360 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 -6.4740 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5050 -7.3580 -3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7300 -6.3270 -2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0540 -4.4120 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1550 -3.5330 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 0.1010 2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 -0.6570 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.9020 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 -6.3460 1.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -6.6990 2.3470 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 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 39 40 1 0 0 0 0 M END