IBS-ZINC02290454 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 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 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -2.4880 -2.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -3.9110 -2.5470 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5140 -4.3490 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -4.4320 -3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -4.2830 -3.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -3.6780 -4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -2.6360 -5.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -2.2280 -6.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 -2.8450 -6.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 -3.8780 -6.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 -4.3010 -4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -5.3480 -3.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -5.2860 -2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -6.1670 -1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -7.0850 -1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 -7.1430 -2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -6.2840 -3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7080 -8.1360 -2.4760 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7040 -8.9000 -1.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6070 -8.1880 -3.2960 O 0 5 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -3.9950 -4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -5.5180 -3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -4.1560 -2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -2.1480 -4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 -1.4190 -6.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 -2.5160 -7.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -4.3580 -6.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -6.1300 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6020 -7.7660 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4230 -6.3300 -4.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 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 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END