IBS-ZINC02152102 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.2310 0.9920 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -0.3810 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -0.6260 -0.8120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1170 0.1870 -1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -1.9310 -1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -2.8190 -1.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -2.1070 -1.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -3.2990 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -4.3300 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 -5.5340 -1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -5.7350 -3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -7.0160 -3.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 -7.1490 -5.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -6.0680 -5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -6.2000 -7.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -4.8960 -5.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -4.6980 -3.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -3.4790 -3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -2.3550 -4.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -8.1560 -2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -0.6840 -0.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -0.0900 -1.9240 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 -0.2170 -1.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -0.6710 -3.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 1.6380 -2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 2.5380 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 3.8940 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 4.3500 -2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 3.4500 -2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 2.0950 -2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 5.8280 -2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 0.9940 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 1.7550 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 1.2050 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -1.1530 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -0.4120 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -4.1750 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 -6.3290 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -8.0810 -5.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -2.4180 -4.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -2.4360 -5.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -1.4000 -3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 -8.0960 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -9.1030 -3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 -8.0940 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -1.0720 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 2.1820 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 4.5970 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 3.8060 -3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 1.3920 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 6.2480 -3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 5.9870 -2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 6.3170 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 18 2 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 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 31 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END