IBS-ZINC04046460 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 0.2740 1.7580 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 0.2580 0.2150 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0980 0.1220 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.4960 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -0.0840 2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -0.9900 3.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -1.7590 3.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -0.3520 -1.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3620 -0.2800 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -1.8700 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -2.1860 -2.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.9200 -3.4540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9860 -0.9770 -3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 0.2300 -2.4640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1550 1.5380 -3.0550 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1460 2.3940 -2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 1.8010 -4.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 0.6330 -5.4850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9120 0.5580 -5.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -0.7660 -4.9110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0470 -1.5040 -5.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -1.1520 -5.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -1.2190 -6.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -0.4390 -7.5870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2600 -1.0520 -7.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 0.9190 -6.9140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2410 1.6440 -7.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 1.7980 -9.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 0.4750 -9.9040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0370 0.6790 -10.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -0.3060 -9.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -0.3290 -10.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -0.5110 -9.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 1.8270 -6.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 1.5620 -3.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 0.7990 -3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 0.4200 -2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 1.9670 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 2.3280 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 2.1650 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -1.5730 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -0.3490 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 0.9280 2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -0.0770 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -2.4750 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -2.1240 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -3.0630 -3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -2.4030 -2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 2.0650 -4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 2.6820 -4.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -2.1270 -4.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -0.4370 -4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -2.2700 -7.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -0.8680 -7.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 2.6370 -7.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 1.0900 -7.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 2.5140 -9.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 2.2290 -9.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -1.3120 -9.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 0.1800 -9.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 2.8440 -6.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 1.9270 -7.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 1.4450 -6.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 1.2230 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 0.6990 -3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -0.4790 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -0.8440 4.9680 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 67 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 26 34 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 M CHG 1 67 -1 M END