IBS-ZINC04064606 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 0.3510 1.4490 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -0.0270 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -0.9150 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -2.2530 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -2.6830 -0.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -1.7520 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -0.4320 -0.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -2.2740 -2.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -1.6270 -3.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -0.3600 -3.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 0.2440 -4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 1.4220 -4.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -0.5320 -6.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -1.9770 -5.9330 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2950 -2.5520 -6.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -2.4470 -4.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -3.7450 -4.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -4.9200 -4.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -6.2440 -4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -6.9400 -5.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -8.1100 -5.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -8.8120 -6.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -8.1980 -4.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -7.0380 -3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -6.8830 -2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -7.8860 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -9.0330 -1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -9.2120 -3.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -2.1260 -6.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -2.9650 -5.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -3.2970 2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 1.7130 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 2.0050 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 1.7630 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.5810 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -3.2770 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -0.0650 -6.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -0.4540 -6.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -3.8130 -5.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -3.8120 -3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -4.8490 -3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -4.8810 -5.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -6.6990 -6.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -5.9980 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -7.7720 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -9.8020 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -10.1080 -3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -3.1730 2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -4.3020 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -3.2200 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -1.4110 -6.9090 O 0 5 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 M CHG 1 51 -1 M END