IBS-ZINC02336812 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -0.1480 -1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -0.8900 -2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -0.1480 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 -0.6500 -4.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -1.8930 -4.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -2.4630 -6.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -3.6730 -6.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -4.3530 -5.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -3.8300 -4.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -2.5820 -3.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -2.0570 -2.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -4.2240 -7.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -5.4930 -7.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 1.0770 -2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 1.0280 -1.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 2.1060 -3.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 3.1810 -2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 3.2560 -1.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2080 4.2720 -3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 5.3960 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3130 6.3900 -2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 6.2880 -4.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 5.2450 -4.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6550 4.2080 -4.3440 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -0.1000 -5.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 -1.9450 -6.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -5.3100 -5.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -4.3700 -3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -5.4050 -7.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -6.2240 -7.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -5.8190 -8.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 2.0460 -4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2210 5.4860 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5820 7.2620 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7730 5.2040 -5.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 3.3600 -4.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 15 2 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M END