IBS-ZINC02194152 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -1.7080 0.6010 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -0.7640 0.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -1.3320 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -2.6070 1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -3.4590 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -4.6130 0.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -2.8350 -0.7670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -1.5130 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -1.0540 -1.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -3.5980 -1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -2.7870 2.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -1.6190 3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -0.7190 2.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -1.4890 4.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -0.2730 5.4630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4700 0.6340 4.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -0.3430 6.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -0.0900 5.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -1.1510 4.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 -0.9140 4.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 0.3830 3.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 1.4450 4.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 1.2100 4.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -0.2730 6.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.4180 6.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -3.9790 3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -3.8890 3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -3.5740 4.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 -3.4940 4.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4410 -3.7290 2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 -4.0430 1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 -4.1240 1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 1.2680 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 0.9360 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 0.6540 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -3.6810 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -3.0570 -2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -4.6000 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -2.1700 5.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -1.3180 6.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 0.3960 7.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -2.1680 5.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -1.7440 3.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 0.5660 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 2.4560 3.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 2.0430 5.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -4.1310 4.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -4.8520 2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 -3.3840 5.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 -3.2440 4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 -3.6650 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 -4.2250 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -4.3780 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 0.8490 7.1140 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 54 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 M CHG 1 54 -1 M END