IBS-ZINC00536866 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 4.6160 -1.5250 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -1.7310 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -1.6200 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -1.9350 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -1.9950 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -2.3490 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -2.6410 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -2.5890 -1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -2.2330 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -2.1050 -1.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -2.2670 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 -1.2370 2.5160 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4610 -1.3980 2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 0.2300 2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 0.6000 5.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 0.5300 6.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 1.5260 6.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 1.3110 6.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 1.3700 4.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 1.3810 8.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 2.4450 9.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 2.1430 9.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 3.1310 9.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 4.4280 10.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 4.7380 9.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 3.7510 9.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -2.0430 3.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 -2.3200 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0590 -1.5260 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -0.5640 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -1.7750 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -2.3980 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -2.9160 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -2.8200 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 0.9490 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 0.4810 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 1.5800 4.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 -0.1780 4.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -0.4920 6.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 0.7350 7.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 2.5400 6.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 0.3390 6.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 2.0750 6.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 1.1110 4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 2.3580 4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 0.3860 8.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 1.4320 9.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 1.1370 9.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 2.8890 10.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 5.1960 10.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 5.7480 9.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 4.0100 9.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -2.9660 3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 0.3700 4.3090 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4610 -0.5830 4.5520 H 0 0 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 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 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 22 48 1 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 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END