IFLAB-ZINC02722503 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -1.8140 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -2.9290 0.2670 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -2.2600 2.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -3.7000 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 -4.1800 2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -5.6610 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -6.6450 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.8620 2.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -8.7200 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -7.6860 3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 -6.3000 3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 -5.8180 4.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0160 -6.7070 5.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 -8.0760 5.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -8.5650 4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8450 -6.1140 6.8410 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -6.4400 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -1.3060 3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.9990 4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 0.1640 4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 0.4460 5.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -0.4350 6.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -1.5990 6.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -1.8870 5.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -3.0340 5.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -3.9020 6.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 0.1420 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -3.9000 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -4.2290 2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -3.9800 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -3.6510 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -4.7550 4.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 -8.7620 5.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -9.6310 3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -6.3750 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -7.2800 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -5.5170 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 -1.7370 3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -0.3870 2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 0.8530 3.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 1.3550 5.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -0.2130 7.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -2.2870 7.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -4.2160 6.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -4.7780 6.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -3.3720 7.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 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 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END