IBS-ZINC04898587 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.6030 1.6510 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 0.3410 -1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -0.5320 -1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -0.0860 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 1.2240 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 2.0920 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 3.5220 -0.3420 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0420 3.9150 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 4.3660 -1.5590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4480 4.3960 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 5.7860 -1.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6320 5.7220 -0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 4.6530 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 4.6560 1.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 3.5810 0.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 6.6170 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 6.5600 -3.3080 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 7.9460 -1.8590 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 6.1040 -2.7000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 6.3900 -0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 3.7610 -2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 3.6850 -1.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 3.2640 -3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 2.8140 -4.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 2.3500 -5.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 2.3260 -6.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 2.7710 -5.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 3.2320 -4.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 1.8700 -7.4720 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -1.8210 -1.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 2.3320 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -0.0030 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -0.7640 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 1.5720 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 6.4680 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 2.8300 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 7.2920 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 2.8320 -3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 2.0030 -6.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 2.7500 -6.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 3.5740 -3.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -1.9630 -2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 30 42 1 0 0 0 0 M END