IFLAB-ZINC04568624 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.5210 1.5810 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 0.2560 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -0.2920 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 0.4300 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 1.7390 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 2.3380 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 3.7800 -0.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0900 4.1680 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 4.7010 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 4.6150 -2.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 3.9440 -3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 3.3820 -3.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 3.9270 -4.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 4.5160 -3.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 3.2200 -5.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 3.0700 -6.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 4.2420 -7.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 4.0750 -8.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 5.1950 -9.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 5.2180 -9.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 5.2990 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 5.2800 2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 4.4920 3.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 3.1330 3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 3.0290 2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -0.2920 -0.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 -1.5550 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -1.5570 -1.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 2.0230 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -0.3220 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 2.2740 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 4.4810 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 5.7510 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 5.0550 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 2.7920 -5.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 2.9840 -5.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 2.1310 -7.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 4.3420 -7.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 5.1860 -6.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 4.0140 -7.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0630 3.1690 -9.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 5.8530 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 5.7290 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 6.2980 2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 4.8950 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 2.5760 4.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 2.7040 2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 3.4250 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 1.9890 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 -1.7900 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 -2.3350 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 3.8730 0.9510 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7810 3.4720 0.4930 H 0 0 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 52 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 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 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END