SIAL-ZINC04533845 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 38 0 0 1 0 0 0 0 0999 V2000 0.9780 -0.9560 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -0.5020 0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2180 -0.0900 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -1.6120 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -2.7940 0.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 -1.0030 -0.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -1.2680 0.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2470 -2.2300 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 -0.1180 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 1.3260 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1350 2.2290 0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -1.3120 2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -0.5740 2.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 -2.2810 2.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -2.5960 4.2020 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2760 -2.0470 4.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 -2.2930 4.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 -0.8350 5.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 -0.1630 5.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -4.1380 4.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4240 -4.8670 3.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 0.2440 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 1.3530 0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -1.3440 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -1.7580 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -0.2060 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -0.3040 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 -0.1220 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 -2.9110 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2770 -2.6770 4.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -2.8260 5.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 1.4330 0.1710 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.9430 -0.4860 5.0950 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3370 -4.4900 5.4870 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8900 0.6340 0.9300 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7710 1.1250 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 1.3070 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 0.2960 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -0.0060 0.4880 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 M CHG 1 32 -1 M CHG 1 33 -1 M CHG 1 34 -1 M CHG 1 35 1 M CHG 1 39 -1 M END