IBS-ZINC02138493 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 1.0720 1.5440 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 1.1860 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.6200 -2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 0.1750 -0.1990 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4430 -0.6930 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 0.7450 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 1.8920 0.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -0.1820 1.9810 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -1.1450 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 0.1840 3.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5350 0.8540 2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -1.0600 3.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -1.3020 3.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1610 -2.4470 4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -3.3670 5.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -3.1460 5.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -2.0040 4.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 0.9710 4.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 0.7210 4.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -0.2900 -1.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 0.5880 -1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 0.2590 -2.8130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -1.0940 -2.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -1.4820 -3.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3640 -2.8200 -3.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -3.7830 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -3.4100 -2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -2.0690 -2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -1.6440 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -2.4710 -0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 2.2460 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 2.0190 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 0.6530 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 2.1200 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -0.3220 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 0.4330 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 1.3250 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -0.5930 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2340 -2.6170 4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 -4.2540 5.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -3.8610 5.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -1.8450 4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 1.6440 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4380 -0.7340 -4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 -3.1080 -4.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 -4.8230 -3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 -4.1600 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 1.7730 5.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 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 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 M CHG 1 48 -1 M END