IBS-ZINC02241002 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.2170 1.3220 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -0.0400 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -0.6150 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.1690 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 1.5420 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 2.1110 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 -0.4860 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 -0.5640 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -1.7650 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 -1.8760 3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -0.7880 4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 0.4140 3.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 0.5290 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 -0.6260 -0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 -0.0070 -1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 0.7300 -3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 0.1270 -2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2210 0.4940 -4.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6940 0.1960 -5.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 -0.7240 -5.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2360 1.0490 -6.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8120 1.1660 -7.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 0.5740 -8.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 0.9290 -9.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 0.5010 -10.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6850 1.9100 -10.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 2.2650 -8.8620 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 1.7680 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -0.6560 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -1.6820 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 2.1910 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 3.1740 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -1.5200 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -2.6320 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 -2.8110 4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 -0.8750 5.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 1.2640 4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 1.4840 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 -1.6800 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4950 -0.5370 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 1.0160 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.5940 -1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 0.7050 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 1.7860 -2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 0.7440 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -0.9050 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 -0.0160 -4.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3950 1.5700 -4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0080 1.6520 -6.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2650 1.4480 -11.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 2.8220 -10.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 0.1070 -0.7590 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8630 1.0790 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3020 -0.0140 -3.2050 N 0 0 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 52 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 54 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 54 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END