IBS-ZINC02212262 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.1650 -0.6340 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 0.0460 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 1.3700 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 2.0610 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -0.6450 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 0.2810 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -0.5120 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5690 0.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 -2.4530 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -1.5830 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3480 -1.7600 1.7270 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3370 -3.1100 2.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4290 -1.1890 1.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1240 -0.7610 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5120 -1.2930 4.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3340 -0.5160 5.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7700 0.8000 5.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3870 1.3370 4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5660 0.5480 3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7050 2.6230 4.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3130 2.9040 5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4560 3.9760 6.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 1.8140 6.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 1.7480 7.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.9210 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.5630 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 3.1410 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 0.9960 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 0.8130 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 -0.9620 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 0.1530 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 -3.0880 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 -3.0700 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 -1.0250 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -2.2190 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 -2.3180 4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 -0.9320 6.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0470 0.9570 2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 M END