IFLAB-ZINC04087594 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 55 0 0 0 0 0 0 0 0999 V2000 0.2430 1.4920 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -0.0140 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.6770 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -2.0580 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -2.7800 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -2.1110 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -0.7300 -1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -4.1800 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -4.9810 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -6.2830 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -6.2630 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -5.0020 0.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -7.6270 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -8.7810 -0.2670 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -7.6640 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -4.5610 -1.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -5.3330 -2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -6.3440 -1.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 -4.9400 -3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4740 -5.9090 -3.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3570 -5.7020 -4.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 -4.5760 -5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 -4.3420 -6.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1380 -5.2410 -6.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0520 -5.0300 -7.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0600 -5.9220 -7.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2010 -7.0450 -7.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3350 -7.2820 -6.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2820 -6.3840 -5.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3650 -6.5990 -4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 1.8310 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 1.8480 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 1.8870 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -0.1150 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -2.5750 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -2.6700 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -0.2100 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -7.6680 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -7.8510 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -7.8990 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -7.7280 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -3.7130 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -3.9630 -3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -4.8920 -4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -3.8820 -5.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9660 -3.4680 -7.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9560 -4.1640 -8.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7610 -5.7570 -8.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0100 -7.7370 -7.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4570 -8.1560 -5.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 -7.4680 -4.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 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 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 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 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 30 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 51 1 0 0 0 0 M END