IBS-ZINC05348560 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 1.0650 1.7110 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 0.1760 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -0.4110 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -1.7680 0.9440 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8900 -2.0140 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -1.7590 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -1.8170 -1.4060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3810 -0.3960 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -2.8490 -0.8360 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0100 -2.4070 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -2.8340 0.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -3.8680 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -3.6870 2.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -4.7840 3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -6.0810 3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -6.2890 1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -5.1800 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -5.3310 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -4.2960 -1.3350 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2650 -4.5280 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -4.4760 -2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -5.3360 -3.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -7.2300 4.0190 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1570 -7.0020 5.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -8.3650 3.5370 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6820 -2.1200 -2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -0.0390 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 1.9660 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 2.1720 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 2.1730 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 0.2870 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -0.4670 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 -0.8780 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 -2.6530 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -0.3880 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 0.2930 -1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -2.6830 3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -4.6050 4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -7.2910 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -5.1940 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -6.3430 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 -3.0990 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -2.0720 -3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 -1.3840 -2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 0.2580 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -1.0740 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 0.5640 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -3.7420 -3.4910 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 48 -1 M END