IBS-ZINC05208650 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 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 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 0.0110 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 0.7170 2.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 0.9700 3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 1.0080 1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 1.6880 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2800 1.8050 1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4340 1.2470 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 0.5750 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 0.4440 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 -0.1540 0.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -1.9760 1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -2.6670 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -2.0740 2.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -4.1420 1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -4.8250 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -6.2020 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -6.9180 1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -6.2430 2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -4.8610 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -6.9290 2.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -8.3090 2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -8.9600 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -8.2770 1.6820 O 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 -1.0200 -0.3810 0.0100 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 0.7330 -1.5870 -1.2630 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 4.9690 2.1240 3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1030 2.3340 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3760 1.3460 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 0.1450 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -2.4480 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -4.2740 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -6.7290 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -4.3360 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -8.8060 3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -8.3890 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -8.8730 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -10.0110 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END