IBS-ZINC06662717 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 0.1460 1.6680 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 0.1850 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -0.6100 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -1.9210 0.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -1.9790 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -0.6860 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -0.5430 -2.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -1.6770 -3.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -2.8670 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -3.1140 -1.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 0.6810 -3.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 0.7580 -4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 2.1710 -5.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 2.7940 -4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 4.1000 -5.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 4.7430 -5.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 4.1800 -6.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 2.9100 -5.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -3.1040 1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -3.6210 1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -4.9240 2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -6.4630 4.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -6.9510 4.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -7.5220 3.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8600 -6.5620 2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 -6.0500 1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -0.2260 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 1.9490 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 2.1260 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 2.0980 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -3.7320 -3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 1.5280 -2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 0.1140 -5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 0.4120 -4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 2.2630 -4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 4.6000 -5.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 5.7610 -6.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 2.4930 -5.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -3.8640 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -2.8610 2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -2.8650 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -3.7690 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -5.7110 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -4.7470 3.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -5.9700 5.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -7.2840 3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 -7.7270 5.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -6.1370 4.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3250 -7.0540 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 -5.7390 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -6.8680 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -5.2760 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -0.7690 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -0.4470 2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.8400 2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -5.4430 3.0420 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3620 -4.6430 3.3520 H 0 0 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 56 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 56 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 56 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END