IFLAB-ZINC04330789 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.0040 0.9620 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -0.1510 -0.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -0.5350 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -0.8170 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -0.3200 -2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -0.9830 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -2.1900 -3.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -2.7110 -2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -2.0310 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -2.9060 -5.1850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6700 -2.2540 -5.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -3.2750 -5.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -2.1520 -6.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 -2.0150 -5.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -2.7720 -4.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -0.7900 -6.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -0.0210 -6.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3890 -0.7560 -5.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 0.1910 -5.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2220 1.3110 -6.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2460 2.2430 -6.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4890 2.0730 -6.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7180 0.9690 -5.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6900 0.0320 -5.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9950 -1.1250 -4.2360 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.1870 -1.3750 -4.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0420 -1.7920 -3.8030 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2010 -5.0110 -6.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -5.8080 -5.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 -4.7750 -5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -3.8950 -4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 0.6890 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 1.8400 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 1.2580 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -0.5790 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 -1.5080 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 0.1880 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 0.6170 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -0.5310 -4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -3.6400 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -2.4870 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -3.6700 -6.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -4.0610 -5.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -1.4230 -6.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6000 -1.5240 -4.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2740 1.4980 -7.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0670 3.1050 -7.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2780 2.8010 -6.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6980 0.8540 -4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -4.3390 -7.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -5.6340 -6.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 -6.6090 -5.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -6.2590 -6.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -5.2270 -4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8170 -4.1720 -5.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 -4.1710 -3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -2.8380 -4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -4.1600 -4.9710 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4260 -4.7580 -4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 58 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 58 1 M END