IBS-ZINC02299244 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -0.2060 1.7080 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 0.2960 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 0.0880 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -1.1930 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -2.2820 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -2.1220 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.8100 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -0.5760 -2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -3.2560 -1.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -4.1610 -1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -4.6730 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -4.1520 -3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -3.6330 -2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -5.8810 -5.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -6.9730 -5.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -7.3350 -4.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -7.5690 -6.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -7.2880 -7.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -8.0580 -8.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -8.0570 -9.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -8.8370 -8.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -8.5540 -6.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 -9.2350 -5.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 -10.1650 -6.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 -10.4210 -7.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -9.7620 -8.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 -10.7460 -5.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 -11.7100 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 2.0630 -1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 1.7640 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 2.3910 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 0.9290 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -1.3460 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -3.2800 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 0.3710 -3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -1.3450 -3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -0.5670 -2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -3.6670 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -5.0100 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -3.8690 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -5.4830 -3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -4.6030 -3.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -3.3530 -4.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -4.4220 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -2.8020 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -6.3410 -5.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -5.0960 -5.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -6.6170 -7.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -9.0420 -4.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 -11.1360 -8.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 -9.9690 -9.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6470 -12.0770 -5.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6790 -11.2590 -7.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4770 -12.5660 -6.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -5.2210 -3.7110 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3750 -5.9770 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 55 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 14 55 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END