IBS-ZINC03984940 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.6100 2.0970 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 0.5800 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 0.2020 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -0.0740 -0.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -0.3820 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -0.1150 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -1.0630 -2.1480 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2570 -2.0190 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -0.1750 -3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -0.9060 -4.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 -0.8110 -5.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -1.6220 -6.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 -1.7220 -6.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -2.2770 -6.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -1.8610 -5.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -2.3720 -5.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -3.2760 -6.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -3.6910 -7.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -3.1950 -7.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -1.2900 -2.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -2.3890 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 -2.5460 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9670 -1.4600 -1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5910 -0.3900 -1.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2730 -1.6840 -1.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 -2.8580 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 -2.9960 -0.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8860 -3.8880 -0.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5540 -3.8040 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8240 -4.7440 -0.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 -5.1300 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2460 -0.6210 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 2.3670 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 2.4170 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 2.5880 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 0.2600 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 0.5220 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -0.8790 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 0.6930 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 0.0670 -3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 0.7450 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 -0.1860 -4.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -2.0530 -4.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -3.6710 -6.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -4.4070 -7.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -3.5260 -8.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -0.6490 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 -3.1460 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4680 -5.0870 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8440 -5.9740 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4700 -5.2520 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7290 0.2570 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7570 -0.3600 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -0.9680 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 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 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 32 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M END