IBS-ZINC01896822 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.1000 0.2840 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -1.1170 0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -1.4840 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -0.5160 -2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -0.8900 -3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -2.2290 -3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -3.1990 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -2.8310 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -3.7850 -0.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.1640 -4.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8990 1.1120 -3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 0.3290 -3.9980 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4760 -0.0210 -5.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 -0.3610 -6.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 -0.6920 -7.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -0.2540 -5.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -0.5090 -6.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -0.2530 -5.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -0.5060 -5.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -1.0150 -7.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -1.2710 -7.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -1.0140 -7.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -1.3370 -7.8130 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 -2.3150 -8.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -1.5180 -6.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 0.0440 -8.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 -0.0230 -5.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 1.7520 -3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 2.6520 -3.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 2.0490 -2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 3.3680 -2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 3.6380 -1.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 2.6080 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5490 1.3000 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3780 1.0130 -2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 0.7330 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 0.7490 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 0.4370 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 0.5310 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -2.5170 -4.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -4.2440 -2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -4.0570 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 0.1440 -4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 -0.3080 -5.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -1.6690 -8.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -1.2100 -7.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 0.8270 -8.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 0.0710 -9.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -0.3570 -3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 4.1730 -2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2480 4.6560 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7740 2.8260 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2240 0.5020 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1360 -0.0080 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 27 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 33 34 2 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 M END