IBS-ZINC04040157 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -0.2270 1.5460 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 0.0640 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -0.8160 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -2.1040 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -2.0310 -0.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -2.8190 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -0.7260 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -0.3340 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 0.8110 -2.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -1.4490 -3.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -1.1820 -4.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -3.4050 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -0.4520 2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -0.7040 3.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -0.3350 4.9380 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9540 0.7390 5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -0.5860 5.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -1.2210 4.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 -1.5740 4.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 -1.3500 3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -1.8770 2.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -0.2230 6.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0810 0.9060 6.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3430 2.6300 7.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 0.2730 8.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -1.1450 5.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -0.8230 6.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -2.0380 7.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -3.0230 6.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -2.4930 5.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 0.2310 3.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.0350 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 1.8480 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 1.9170 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -2.1380 -5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -0.7000 -4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -0.5620 -4.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -3.8470 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -4.1130 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -3.2800 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -1.1260 7.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 0.0670 7.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 1.7890 6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 0.6210 5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 2.4720 7.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6850 3.3870 7.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6210 2.9220 8.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 -0.5900 8.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2380 0.0090 8.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7390 0.6820 9.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 0.1650 6.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -2.1820 7.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -4.0960 6.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 0.2250 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 1.3330 7.9580 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7540 1.5210 8.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 55 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 55 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 31 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END