IBS-ZINC02222554 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 36 0 0 1 0 0 0 0 0999 V2000 1.0160 1.0820 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 0.6450 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -0.3020 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -0.0010 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 -0.3520 -1.1670 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6780 -0.9570 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -1.1910 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2880 -0.5340 -0.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.8510 -1.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 1.1240 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 1.5330 -2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 1.2060 -3.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 2.6440 -3.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 3.5540 -4.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 4.8520 -3.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 4.6060 -3.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 5.8640 -4.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 1.5720 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 1.7950 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 0.2260 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 1.5480 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -1.2310 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.5640 -2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 0.1640 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -0.9040 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 0.6820 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 2.8270 -2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 3.0550 -4.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 3.7800 -4.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 5.2850 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 5.5490 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 3.9640 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 4.1280 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 6.0850 -5.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 6.8070 -4.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 5.4850 -5.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -2.4050 -0.2440 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 M CHG 1 37 -1 M END