IFLAB-ZINC04359488 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 1.5040 0.0290 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -0.1810 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -2.5040 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.2080 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -0.4850 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 0.8650 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 1.2210 2.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 1.7350 4.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 1.9680 5.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 2.4640 6.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 2.8140 7.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 3.2950 8.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 3.4350 8.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 3.1060 6.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 2.6140 5.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 2.1080 4.3140 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 3.9260 9.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 4.0840 10.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 3.6790 9.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 1.0640 2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3670 1.3610 3.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 0.5200 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4900 1.3930 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9760 0.8780 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9440 -0.4990 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 -1.3670 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 -0.8520 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 -1.6940 2.0220 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 0.6800 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 0.5120 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.9110 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 0.7730 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -0.6400 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -3.0190 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -2.4910 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -4.2760 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -3.1110 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -2.8200 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -0.4200 2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -1.2210 2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 1.6730 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 0.8300 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 2.7080 7.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 3.2210 6.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 3.4810 11.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 5.1380 10.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 2.4630 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3940 1.5480 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 -0.8950 -1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -2.4390 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -1.0670 0.7460 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5210 -1.1460 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 51 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 51 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END