IBS-ZINC05141854 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.2270 0.3570 -3.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 0.6020 -2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 0.9840 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -0.6030 -1.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -0.8760 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -2.0110 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -2.3980 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 -1.6440 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 -0.5320 -1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 -0.1500 -2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3130 -1.9540 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 -2.4740 -1.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8490 -1.7030 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 -2.0060 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5110 -1.6720 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5850 -1.8030 2.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 -1.2100 2.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 -1.1130 1.5330 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4410 -1.7730 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7440 0.3110 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 0.6350 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 1.9390 1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 2.9360 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 2.6330 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5550 1.3300 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 -0.8670 3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 0.5070 4.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9760 0.0990 6.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6070 2.3990 5.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0650 -2.4550 -0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 0.0740 -4.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -0.4690 -3.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 1.2520 -4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 1.4310 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 0.1810 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 1.1410 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 1.9000 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -2.5910 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 -3.2810 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 0.0580 -2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 0.7230 -2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 -0.1290 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 2.1730 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 3.9500 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7040 3.4110 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5720 1.1220 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 -0.9240 4.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -1.6400 4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8120 0.5200 4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 1.2750 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0610 0.1650 6.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6290 -0.9300 6.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6590 0.4920 7.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0460 2.9640 5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6820 2.5690 5.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2590 2.6670 6.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9460 -2.6390 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 0.9320 5.6910 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3110 0.8210 5.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 57 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 30 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 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 49 1 0 0 0 0 27 50 1 0 0 0 0 27 58 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 58 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 58 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END