IFLAB-ZINC02698988 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 0 0 0 0 0 0999 V2000 0.3410 1.3440 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -0.1620 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -0.8310 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -2.2120 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -2.9240 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -2.2550 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -0.8740 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -4.6850 0.0530 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -5.1280 -1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -5.0840 1.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -5.1430 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -5.8340 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 -5.9100 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -6.3010 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 -6.0040 0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9740 -5.3170 1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -4.9230 2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 -5.2120 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -4.8210 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -4.1370 2.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -2.8480 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -2.0910 3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -2.9060 4.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -4.1940 4.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -4.9510 3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 -2.2160 5.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 -2.8150 7.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -2.1310 8.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -0.8520 8.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -0.2520 6.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -0.9340 5.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 1.3540 6.6370 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 1.6670 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 1.7100 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 1.7420 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -0.2750 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -2.7350 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -2.8120 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -0.3510 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -6.0830 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 -6.8340 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4560 -6.3060 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6670 -5.0940 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 -4.3920 2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -2.2580 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 -3.0220 2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -1.8930 3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -1.1470 3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -4.0200 4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -4.7840 5.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 -5.1490 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -5.8950 3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -3.8140 7.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -2.5960 9.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -0.3190 8.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -0.4680 4.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -6.1920 -1.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 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 38 1 0 0 0 0 7 39 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 19 2 0 0 0 0 12 40 1 0 0 0 0 12 57 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 13 57 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 56 1 0 0 0 0 M END