IBS-ZINC02328732 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 61 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -0.7030 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -1.1480 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -1.3860 -3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -1.1690 -3.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -0.7300 -2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -1.5110 -4.9170 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8690 -2.6370 -4.9010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7980 -3.2590 -4.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -1.9100 -5.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9130 -2.1490 -4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -0.4110 -5.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0290 0.0800 -4.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -0.5950 -7.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 0.1700 -7.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 0.2560 -6.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 -2.3760 -6.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -2.0430 -6.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -3.2100 -6.9180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -3.4390 -6.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -4.1610 -6.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -3.8340 -8.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -2.9480 -9.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -3.1030 -9.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -2.2900 -10.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -1.3240 -11.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -1.1700 -10.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -1.9850 -9.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -1.9290 -5.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -2.2860 -6.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 -1.8310 -4.7760 N 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 0.5290 -0.3650 0.8850 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 2.6340 -0.5190 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 -1.3120 -2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -0.5690 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -1.6570 -7.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -0.1740 -7.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 1.1700 -7.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -0.3890 -8.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -0.2830 -6.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 1.2980 -5.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -4.8040 -8.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -3.9700 -8.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -3.8580 -9.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -2.4100 -11.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -0.6880 -12.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -0.4140 -11.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -1.8680 -9.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -2.0440 -4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -0.3600 -5.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 56 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 56 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 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 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 55 1 0 0 0 0 M END