IBS-ZINC02101211 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 1.4680 1.3440 -2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -0.0350 -2.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -0.7980 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -0.1270 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 1.2530 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 2.0000 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 1.5910 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 0.4130 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 -0.6100 0.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 -1.5820 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 2.9620 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 3.7690 1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 5.1670 1.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 5.7120 2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6070 5.0380 3.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 7.2100 2.3510 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7370 7.2590 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 7.7190 3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 8.0680 4.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 8.2310 4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 8.1430 3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0720 8.1490 2.4070 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4550 9.1660 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 7.9870 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 6.9950 0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 1.9210 -2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -0.5260 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -1.8710 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 3.0770 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 0.2220 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 2.8970 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 3.4870 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 3.7240 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 3.3740 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 5.8260 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 6.9780 3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 8.6200 2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4720 8.1680 5.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 8.4490 5.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 7.2400 3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 8.9970 3.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 8.8610 1.3940 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 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 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 M CHG 1 42 -1 M END