IBS-ZINC05216229 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 2.2660 0.8730 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -0.1100 0.4640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3520 0.4340 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -1.1420 1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.1560 0.9280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3460 -2.9170 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -2.8160 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -1.7870 -1.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -0.8280 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -2.3620 -2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -2.1750 -3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -2.7710 -4.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 -3.4960 -4.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -3.6530 -3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -3.0960 -2.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0620 -4.4140 -3.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 -5.0340 -4.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8370 -5.8020 -4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 -7.1330 -4.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 -7.8370 -3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1420 -7.2110 -3.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2200 -5.8800 -4.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0670 -5.1770 -4.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -2.6120 -6.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -1.3610 -3.7030 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5030 -0.1630 -3.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -1.8890 -3.5340 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3910 -1.4390 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 0.3290 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 1.6060 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 1.3830 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -1.6580 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -0.6380 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -3.3380 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -3.5280 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -0.0970 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -1.3600 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 -4.5370 -2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -5.7150 -5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 -4.2600 -5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 -7.6220 -3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8510 -8.8770 -3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0420 -7.7610 -3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1810 -5.3910 -4.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 -4.1390 -4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -2.0830 -6.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -3.0310 -6.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -0.6780 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -2.1610 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -0.9660 1.3710 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 9 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 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 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END