IBS-ZINC04026817 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 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 0.6950 -0.4960 1.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -0.7330 2.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1200 -0.1330 3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -2.2400 2.4840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3490 -2.4010 3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -2.7460 1.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -1.6540 1.9020 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9400 -1.5070 2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 -0.4140 1.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0860 0.5430 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -0.5190 0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -1.8990 0.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -3.0610 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 -3.2870 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5470 -2.3110 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4360 -2.4920 -1.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 -1.1780 -0.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2000 -0.5040 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 -0.9810 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 0.0430 1.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -2.9450 1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -4.3440 2.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -5.1100 1.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -4.6230 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -6.5400 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -7.3370 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 -8.6720 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -9.2270 2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -8.4380 3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -7.1010 2.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -10.5420 3.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -11.0480 3.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -0.5140 -1.2710 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 -2.7870 -3.7950 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -4.2010 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -2.8710 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -2.4710 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -6.9070 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -9.2880 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -8.8730 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -6.4870 3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -12.1090 4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -10.5100 4.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -10.9090 3.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -0.1520 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -1.6040 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.1480 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 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 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 45 1 0 0 0 0 32 46 1 0 0 0 0 33 34 1 0 0 0 0 34 47 1 0 0 0 0 34 48 1 0 0 0 0 34 49 1 0 0 0 0 35 50 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 M END