IBS-ZINC00541164 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 1.6910 0.8540 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -0.1700 0.0940 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3910 0.3640 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -1.2300 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -2.3070 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -2.9630 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -1.9280 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -0.8290 -1.3030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5030 -1.2880 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 0.1590 -2.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 0.9700 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 0.0230 -3.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -0.9230 -4.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 1.0700 -4.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 1.8830 -4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 1.1730 -5.8650 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5670 0.6820 -6.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 0.5920 -6.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -0.9110 -6.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -1.4890 -5.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -2.8770 -5.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -3.6990 -6.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -3.1350 -7.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -1.7470 -7.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 2.6600 -6.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 3.4600 -5.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 0.3880 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 1.6700 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 1.2980 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -1.7020 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -0.7520 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -3.0680 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -1.8630 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -3.5170 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -3.6910 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -2.4310 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -1.4770 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 1.0570 -6.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 0.8440 -7.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -0.8580 -5.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -3.3150 -5.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -4.7790 -6.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -3.7740 -7.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -1.3170 -7.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 2.8900 -7.3990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 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 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 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 25 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 45 -1 M END