IBS-ZINC02291450 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 -0.1120 1.2650 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -0.2130 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -0.9020 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -0.4030 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.0310 -1.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -0.6570 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 0.1230 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 1.2910 -1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 1.2120 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 2.1450 -2.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 3.2020 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 4.2290 -3.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 5.3600 -3.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 5.4660 -3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 4.4430 -2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 3.3120 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 2.3680 -1.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 -0.2030 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8470 0.0980 -0.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 -0.8640 1.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9660 -1.3670 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 -0.2580 2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7680 0.2810 3.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8830 -0.3330 4.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 -1.0680 3.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 -2.1460 3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0440 -1.6320 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -1.8900 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 1.7590 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 1.8000 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 1.3760 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -0.6820 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -0.4700 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -1.9720 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -0.8020 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -1.4600 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 0.1340 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 4.1490 -3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 6.1500 -4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 6.3410 -3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9460 4.5320 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 -0.9990 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6450 -2.0090 2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4810 -1.9930 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3450 0.3240 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3360 0.4210 2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0330 0.7930 4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1690 0.9660 3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4470 0.4600 5.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4780 -0.9930 5.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9060 -2.6720 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7540 -2.8530 3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4420 -0.9580 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5130 -2.4670 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.3460 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 -2.4650 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0350 -0.8280 3.0990 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6290 -1.4530 3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 57 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END