IFLAB-ZINC04554371 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 0.1340 1.0380 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.4420 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -1.3470 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7060 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -3.1570 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -2.2500 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -0.8930 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 0.2620 -2.9040 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 1.2340 -2.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -0.5040 -4.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 1.0480 -2.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 2.4480 -2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 3.2620 -3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 2.6160 -3.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 1.1960 -3.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 0.3610 -2.9260 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5190 0.2460 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -1.0150 -3.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -1.7930 -3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -3.1540 -4.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -3.9940 -4.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9130 -3.5980 -4.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 -5.4150 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 -5.8120 -4.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 -6.2560 -5.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 -7.6490 -5.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -3.5920 1.4970 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 1.3750 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 1.5720 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 1.2370 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -0.9940 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -4.2170 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -2.6020 -2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 2.5070 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 2.8450 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 4.2810 -2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 3.2770 -4.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 2.5780 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 3.2070 -4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 0.7450 -4.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 1.2310 -4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -0.8920 -4.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 -1.5630 -2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -1.8360 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 -1.2930 -4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -3.4490 -4.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4250 -5.9390 -4.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1770 -8.1710 -5.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 -7.6760 -6.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 -8.1360 -4.5570 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 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 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M END