IBS-ZINC04994114 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 0.5230 0.6350 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 0.0710 1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 2.2560 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 2.8400 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 4.2860 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 4.9120 -1.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 5.1240 -1.1630 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4580 5.7530 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 5.9470 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 6.0030 -3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 5.3760 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 5.3200 -2.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 6.4360 -4.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6710 6.5550 -2.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 7.2740 -3.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8990 6.5090 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0350 7.3170 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2120 7.2770 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2610 6.4350 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1370 5.6260 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9540 5.6680 -2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0850 4.7630 -2.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3060 4.6790 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 3.8130 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 2.9080 -2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 1.7110 -2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4740 1.3960 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5420 2.2760 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8360 3.4850 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8430 4.3930 1.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8830 4.2710 1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -0.4360 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 1.1410 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 1.0610 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 0.5360 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -0.9760 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 0.1380 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 2.7960 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 2.2750 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 2.8080 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 2.2310 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 4.3480 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 4.8720 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6650 7.6480 -4.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 7.9840 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3150 7.9080 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1600 6.4360 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8610 5.0320 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1360 4.3180 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8310 5.6400 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9470 3.9510 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 3.1280 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6460 1.0280 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0320 0.4640 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1540 1.9860 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 5.1640 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8690 4.2280 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7140 3.4020 2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 0.8050 0.3880 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3710 0.3540 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 59 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 59 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 59 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 59 1 M END