IBS-ZINC00494008 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 0.1100 1.4600 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -0.0050 -0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -0.8250 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.1290 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -2.0790 -0.6940 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0990 -0.8200 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -0.3650 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 0.6770 -2.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 1.0980 -4.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 0.4890 -5.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -0.5480 -4.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -0.9790 -3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 0.9080 -6.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 0.2380 -7.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -3.2050 -1.5430 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1250 -3.3280 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -2.9270 2.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -1.6980 3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -0.5210 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 0.6660 2.9390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 0.9020 4.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 1.7870 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 1.8440 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 1.8360 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 1.1520 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.9040 -4.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -1.0180 -5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -1.7880 -2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 0.6680 -8.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -0.8220 -7.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 0.3550 -6.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 -3.6890 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -4.1160 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -3.7570 3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -2.6960 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -1.8920 3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -1.4740 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 1.8150 4.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 M CHG 1 5 1 M CHG 1 15 -1 M END