IBS-ZINC02090628 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7430 -0.5130 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -2.0410 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -2.4360 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -2.0280 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.5000 -1.2520 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7340 -0.0800 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 0.0100 -3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 0.4420 -4.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 0.6530 -4.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -0.5000 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -0.0940 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.2120 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -2.4060 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -2.4610 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -2.3840 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -2.4480 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -0.9650 -3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 0.7390 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -0.2270 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.0800 -2.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -0.7020 -2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 0.5920 -6.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 0.8700 -6.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 12 24 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 M END