IBS-ZINC05477606 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 0.6570 0.6670 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.0740 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -0.0800 1.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -0.7920 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -2.1600 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -2.8150 -0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -2.1790 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -2.8600 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 -2.1940 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 -0.8340 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -0.1410 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 -0.8000 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -0.1460 0.3480 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4260 1.2290 0.6860 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.1500 -0.1960 0.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3260 -0.9740 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -2.8800 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -3.3250 1.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -3.9900 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -4.1920 0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -4.4720 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -5.1650 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -5.5960 3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -5.3320 4.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -4.6770 4.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -4.2410 3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 1.1320 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -0.0320 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 1.4360 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 -3.9100 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 -2.7220 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 0.9090 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3630 -1.7950 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2080 -0.3450 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3050 -1.3770 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -3.7420 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -2.2030 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 -5.3590 1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -6.1340 3.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -5.6670 5.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -3.7040 3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 15 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 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 41 1 0 0 0 0 M CHG 1 13 1 M CHG 1 14 -1 M END