IFLAB-ZINC04939468 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 0.3720 1.4010 1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 0.0050 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -0.2830 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -1.5910 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -2.6340 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -2.3450 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -1.0380 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -3.9790 -0.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -4.4930 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -3.8890 -2.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -5.9920 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -6.4340 -2.9050 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6250 -6.0600 -3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -7.9810 -2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -8.3860 -2.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -5.8870 -5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -5.6630 -5.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 -5.8000 -7.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -6.2160 -9.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 -6.0790 -9.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 -4.7180 -9.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0060 -4.2270 -8.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -4.2630 -7.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 1.5550 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 1.5860 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 2.1390 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 0.5110 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -1.7570 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -3.1300 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -0.8430 2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -4.6290 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -6.2940 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -6.4760 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -6.8570 -5.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -5.0940 -5.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -6.3970 -5.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -4.6700 -5.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -5.0370 -7.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -6.7920 -7.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -7.2630 -9.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -5.6170 -9.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 -6.4040 -10.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 -6.7050 -9.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -3.1950 -8.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7530 -4.8130 -7.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -3.6350 -8.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7450 -3.9490 -6.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -8.5920 -2.7920 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4950 -5.8820 -3.6010 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2110 -6.5800 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -4.9410 -3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0920 -5.6840 -7.8500 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7370 -6.2820 -7.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 49 1 0 0 0 0 14 15 2 0 0 0 0 14 48 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 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 46 1 0 0 0 0 23 47 1 0 0 0 0 23 52 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 48 -1 M CHG 1 49 1 M CHG 1 52 1 M END