IBS-ZINC04029168 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.5520 -0.2540 -3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -1.3920 -3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -1.2750 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -0.0180 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 1.1180 -2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 1.0000 -3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 0.1060 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 -0.3490 -1.3210 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9650 -1.3350 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 -0.4210 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 0.5770 0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 0.6070 -2.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 0.5850 -3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 -0.2850 -4.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 1.7150 -4.3720 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2790 2.5840 -3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4700 1.1800 -4.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5150 1.6710 -6.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 1.7200 -6.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3890 2.1230 -5.5540 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 2.8120 -5.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 3.2340 -4.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 2.9530 -6.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 3.5250 -6.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 2.6720 -7.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 1.2810 -7.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 0.5020 -8.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 1.1030 -8.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 2.4840 -9.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 3.2650 -8.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -0.3440 -4.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -2.3710 -3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -2.1700 -1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 2.1020 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 1.8880 -3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 1.1460 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -0.4760 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 1.2960 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 1.5430 -4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5070 0.0830 -4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9450 2.6800 -6.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1140 1.0270 -7.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 2.4190 -7.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 0.7290 -7.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 3.6180 -5.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 4.5290 -7.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 0.7970 -6.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -0.5750 -7.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 0.4960 -9.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 2.9530 -9.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 4.3420 -8.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -1.4470 0.6880 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 52 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 M CHG 1 52 -1 M END