IBS-ZINC02093525 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.8530 0.1210 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -0.0170 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 0.5840 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 0.4400 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 0.9850 3.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -0.2820 2.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -0.9050 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -0.7990 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -1.4390 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -2.1610 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -2.2650 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -1.6470 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 -2.9870 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8720 -2.3030 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 -1.0950 0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 -3.0430 0.3170 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.3370 -3.6650 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1370 -3.9130 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8760 -5.2650 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8380 -6.0630 2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0610 -5.5090 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3210 -4.1560 3.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3550 -3.3580 2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2750 -2.0790 0.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5240 -2.4300 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7410 -3.5470 -0.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5320 -1.5450 0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8510 -1.9920 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2680 -3.1970 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8590 -0.8580 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8160 -2.3930 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 0.7410 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -0.8650 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 0.5870 -1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 1.1710 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -1.3610 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 -2.6540 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -1.7320 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7020 -5.6980 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6340 -7.1200 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0320 -6.1320 4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4960 -3.7230 4.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5550 -2.3000 2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1020 -1.1880 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2920 -2.9110 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2580 -3.5320 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5500 -4.0050 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5620 0.0010 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8490 -1.1940 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8830 -0.5720 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0980 -3.2010 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8060 -2.7290 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5200 -1.5350 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 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 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END