IBS-ZINC05179386 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.5760 0.4060 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 1.0430 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 1.0150 -1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 0.2700 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 0.9060 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 0.2070 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 -1.1500 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 -1.7860 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -1.0700 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 -1.9030 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 -1.6900 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 -0.8410 2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -0.7490 2.6720 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8400 -0.1480 2.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1140 -0.6490 2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4720 -1.6760 2.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5640 -2.2840 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8500 -3.3020 0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1460 0.3710 3.7600 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.8430 1.4680 4.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 1.0060 3.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9410 2.5460 5.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8030 3.3170 5.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 2.9640 4.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9200 4.4460 6.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7590 5.3200 6.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 6.7430 5.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3920 7.1850 6.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5500 6.2550 6.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2120 4.8290 6.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 0.9650 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 0.4260 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -0.6260 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 2.0750 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 1.4680 -2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5740 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -0.0180 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 1.9530 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 0.7050 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -2.8330 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -1.5580 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6930 -2.6250 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 -0.2410 3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8950 2.8080 5.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 1.4710 3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 5.3160 7.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 4.9630 5.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 7.4200 6.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3050 6.7620 4.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2200 7.1420 7.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6410 8.2070 6.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4570 6.5850 6.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7060 6.2790 5.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9880 4.1490 6.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1480 4.7850 7.7670 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 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END