IBS-ZINC02400905 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 58 0 0 0 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 0.7420 -0.5110 1.2420 C 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 1.7820 -2.6340 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -3.9360 0.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -4.7010 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -4.0770 1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -2.6670 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -2.0890 2.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -5.1460 2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -6.3680 1.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -6.0610 1.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -7.0070 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 -7.0990 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 -8.0300 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -8.8770 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -8.7900 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -7.8570 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -9.6160 -1.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -10.2830 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 -10.8630 -1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -9.7840 -0.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -7.5180 2.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -7.5330 2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -8.7490 3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 -8.7410 4.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 -7.5410 4.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -6.3450 4.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -6.3130 3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -5.1500 2.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -1.8340 -0.0180 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 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 3.2400 -6.4400 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -8.1000 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -7.7890 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -11.0880 -3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -9.5710 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -11.5700 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 -11.3680 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -9.6870 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 -9.6770 4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 -7.5620 4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -5.4230 4.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -1.6380 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 -2.3960 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.8880 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 31 2 0 0 0 0 12 13 1 0 0 0 0 12 24 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END