OTAVA-ZINC05374714 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.1880 0.1590 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -1.1960 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -1.7180 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -3.0770 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 -3.7170 0.5330 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3210 -3.7910 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -5.1470 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -5.2610 2.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -2.9690 1.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -1.9480 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -1.4970 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 -1.3710 2.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 -0.0780 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2000 0.4940 3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3720 -0.2140 4.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8490 -1.5070 4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 -2.0840 3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2120 0.3700 5.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9360 0.5950 7.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 0.3490 7.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 -0.1280 7.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8140 0.7380 9.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0310 1.2690 9.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4900 1.8180 11.0070 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.1090 1.2960 8.1140 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 0.5770 10.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 0.5120 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 0.0980 -2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 0.9030 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -1.9080 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -1.1080 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -0.9880 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -1.8070 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -3.7510 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -2.9580 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -3.3230 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 0.4890 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 1.4930 3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9890 -2.0940 5.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -3.1050 3.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1960 0.6530 5.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 1.5560 10.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -0.0720 10.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 0.1380 9.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -6.0020 0.1830 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 45 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 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 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 26 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 M CHG 1 45 -1 M END