IBS-ZINC00639282 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 1 0 0 0 0 0999 V2000 -0.5850 1.5580 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 0.1660 -0.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7340 -0.5760 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 0.1890 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -1.1380 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -1.5540 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -1.6120 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -0.2740 -2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -0.3550 -3.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -1.2830 -4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -1.3310 -6.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -0.4340 -6.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 0.5090 -5.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 0.5360 -4.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 1.4750 -3.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 2.3890 -3.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 3.1750 -2.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 2.3510 -4.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 1.4580 -5.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 3.2440 -5.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 4.1710 -4.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 4.2800 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 4.9020 -4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 5.9470 -4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7650 6.4660 -5.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9410 5.9560 -6.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 4.9060 -6.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 4.3750 -6.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2640 3.3570 -6.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -2.1550 -4.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 2.2740 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 1.5440 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 1.9400 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 0.9820 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 0.4350 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -1.0540 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -1.9100 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 -0.8460 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -2.5360 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -1.8460 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -2.3590 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 0.6620 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -1.0940 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -2.0560 -6.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -0.4830 -7.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 1.4150 -6.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 6.3410 -3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 7.2820 -4.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7070 6.3800 -7.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 4.5070 -7.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -2.7130 -5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.2650 -1.3460 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3880 0.4390 -1.5770 H 0 0 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 52 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 8 52 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 29 2 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 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 30 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END