IBS-ZINC05024147 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 52 0 0 1 0 0 0 0 0999 V2000 -0.0140 1.3180 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 1.4470 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 0.7890 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0020 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -0.1260 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 0.5310 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 -0.7160 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -0.4930 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 0.1280 -0.2290 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2190 -0.3470 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 0.9330 -1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7130 1.0170 -2.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9690 1.9580 -1.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 1.6140 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 2.3760 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2010 3.2780 -1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5910 4.2360 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8190 5.5360 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6580 5.8840 -2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 4.9330 -3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 3.6300 -3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9030 7.2790 -2.9200 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2450 8.1180 -2.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 7.5870 -4.0900 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7550 -2.0830 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 -3.2040 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9850 -4.4580 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 -4.5910 -1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -3.4700 -2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -2.2160 -2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.8360 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 2.0610 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 0.8890 -2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -0.7410 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 0.4310 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 0.1720 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 -1.3360 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9660 -0.7910 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 -1.0520 -1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 3.9640 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 6.2810 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1450 5.2090 -4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 2.8870 -3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 -3.1000 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -5.3340 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -5.5700 -2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -3.5740 -3.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -1.3410 -2.7140 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 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 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 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 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 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 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END