IBS-ZINC05052109 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 1.2260 1.3990 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -0.0970 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -0.6800 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -2.0500 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -2.8440 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -2.2560 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 -0.8850 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -4.2320 -0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -4.8920 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -6.2570 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -6.8760 -2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -6.1490 -3.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -4.8520 -3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -4.2280 -2.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -4.1280 -4.7090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -4.7870 -5.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -4.1610 -6.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -4.8120 -8.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -6.0890 -8.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -6.7150 -7.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -6.0630 -6.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -6.7290 -9.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -8.0430 -9.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -8.2330 -2.4810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -7.0300 0.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0020 -7.1420 0.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -7.5550 0.3730 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5560 1.8460 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 1.6410 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 1.7930 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -0.0620 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -2.5050 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -2.8700 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -0.4270 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -4.7340 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -3.1650 -4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -3.1670 -6.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 -4.3250 -8.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -7.7100 -7.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -6.5480 -5.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -8.4380 -10.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -8.0000 -9.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -8.6920 -8.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -8.7580 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -8.6590 -3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 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 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 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 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END