IBS-ZINC02273159 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -1.5700 -6.6310 -2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -5.4770 -1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -5.9630 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -4.8000 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -5.2870 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -4.1210 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -4.5720 3.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -4.6650 4.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -4.4480 4.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -4.5110 6.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -4.7900 7.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -5.0120 7.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -4.9550 6.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -5.1920 6.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -5.1850 7.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -5.4650 4.8410 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2190 -4.9870 4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 -4.9150 3.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 -4.7970 2.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3710 -6.9640 4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -7.6090 4.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -7.1540 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -6.2600 -3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -7.3530 -2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -4.9550 -2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -4.7570 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -6.4880 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -6.6860 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -4.2750 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -4.0780 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -5.8210 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -6.0120 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 -3.6290 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -3.3410 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -4.2390 4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -4.3440 6.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -4.8400 8.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -5.2380 8.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 -7.3980 4.6070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 M CHG 1 39 -1 M END