IBS-ZINC06660542 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.4950 1.5440 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 0.0820 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -0.6560 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.0330 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -3.2310 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -4.4650 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.5090 -0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -3.3350 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -2.1050 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.8100 -1.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -0.4500 -2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -5.5430 1.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -6.8260 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -0.1400 2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 0.6820 2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.1380 4.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 0.7860 4.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 2.0000 4.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 2.2410 3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 3.2170 3.1360 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 1.3410 1.8280 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 2.5880 5.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 1.7130 6.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 2.3450 7.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3490 1.5520 8.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 0.5040 8.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 2.0220 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 1.7230 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 2.0380 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -3.2010 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -5.4490 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -3.3900 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -1.1670 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -0.4570 -2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 0.5420 -2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -7.0510 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -6.9110 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -7.5700 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -0.4950 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 3.5880 5.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 2.7110 6.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 0.7180 6.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 1.5620 6.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 3.3390 7.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 2.4820 8.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 2.0610 10.0460 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 14 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 30 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 M CHG 1 46 -1 M END