IBS-ZINC04040157 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.8510 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1560 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1220 -0.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.8980 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.8090 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.3560 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 0.8330 -2.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -1.2590 -3.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.7390 -4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -3.3990 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.4290 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -0.6380 3.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -1.2810 2.9140 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2070 -2.3050 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -1.2750 4.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -0.7080 5.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 -0.5540 6.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -0.3010 4.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 0.2350 5.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 -1.8020 4.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 -3.2780 4.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9450 -5.2680 4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 -3.1690 5.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -0.4860 1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 -0.8020 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 0.2100 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 1.0850 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 0.6550 1.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 0.1630 3.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -1.5680 -5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -0.1410 -4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -0.1160 -5.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -3.7130 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -4.1940 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -3.1900 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 -1.2400 4.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -1.7060 3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -3.8400 3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 -3.3740 5.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 -5.5360 5.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 -5.7180 3.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9720 -5.6330 4.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7650 -2.0940 5.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 -3.3620 6.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7280 -3.5790 5.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -1.6640 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 0.2710 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 1.9790 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 0.4040 3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9510 -3.8060 4.6080 N 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 M END