IBS-ZINC04870864 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.3010 0.8150 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 1.4690 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 2.8080 -1.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 0.7100 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 1.1660 -3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -0.0250 -4.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 0.0160 -5.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -1.1500 -3.3420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -0.7990 -2.0940 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0800 -1.2240 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -1.3100 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -1.1420 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 -1.6090 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 -2.2470 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -2.4180 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -1.9520 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -3.0450 2.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -3.5020 3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -2.5120 -3.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -3.0360 -4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -4.4370 -5.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -4.6400 -6.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -5.9260 -6.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -7.0070 -5.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -6.8040 -4.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -5.5190 -4.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 2.3280 -3.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -0.2550 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 1.2510 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 0.9750 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 -0.6430 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0410 -1.4760 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 -2.6120 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -2.0880 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -4.2180 2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -3.9830 4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -2.6540 3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -3.1580 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -2.5050 -4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -2.3900 -5.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -3.0430 -4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 -3.7950 -6.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -6.0840 -7.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -8.0110 -6.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -7.6490 -4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -5.3600 -3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 3.1820 -1.8500 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 4 2 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 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 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 M END