IFLAB-ZINC05241617 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 0.3110 1.7420 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 0.2240 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4130 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -2.5490 -2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -4.0390 -2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -4.7670 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -4.0540 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -5.0390 -0.9970 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -6.4370 -1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -6.1890 -1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -7.3060 -2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -8.3950 -2.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -7.1180 -2.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 -7.6850 -1.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 -7.9970 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -7.2600 -0.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -9.4200 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -10.0400 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4310 -11.3830 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 -12.1150 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -11.4790 -2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -10.1360 -2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 -13.8280 -1.6660 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -14.6030 -1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 -16.1150 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -2.5720 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 2.0810 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 2.1210 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 2.1860 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -0.1200 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 -0.0640 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -0.1750 -2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -0.0740 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -2.0110 -2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -2.3990 -3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -4.4900 -3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -4.1270 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -6.2840 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 -7.8790 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -8.4330 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 -9.4860 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0430 -11.8520 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -12.0160 -3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -9.6660 -3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -14.2980 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -14.2740 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -16.4600 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -16.4800 -2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -16.5800 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.1380 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -2.3030 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -1.9220 -1.3720 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3110 -2.1350 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 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 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END