IBS-ZINC02145800 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 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 1.4250 -2.5000 -2.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -2.7100 -2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 -3.0500 -3.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 -3.2050 -3.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 -3.1960 -4.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 -3.3630 -6.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -2.1600 -7.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -1.8770 -6.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.0940 -7.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -0.3890 -9.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 0.2620 -9.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 0.2200 -9.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -0.4720 -8.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -1.1350 -7.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -1.8920 -6.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.0880 -5.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -2.3310 -6.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -3.1990 -4.8590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6950 -2.7190 -3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -2.5110 -3.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -4.6300 -5.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 0.9620 -10.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 1.6150 -11.4320 C 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 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 3.3350 -1.8000 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -3.5230 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -3.4150 -5.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -4.2790 -6.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -1.2890 -6.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -2.3860 -8.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -0.3540 -9.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 0.7440 -9.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -0.4960 -7.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -5.2740 -4.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -4.6430 -5.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -4.9900 -6.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 0.8750 -11.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 2.3340 -10.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 2.1350 -12.3310 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END