IFLAB-ZINC05258574 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 1 0 0 0 0 0999 V2000 0.0040 1.0920 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 1.0960 2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 3.0280 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 3.4600 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 5.3750 -0.9940 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5340 4.6490 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 6.7330 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 6.5790 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 5.4900 1.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 7.6510 1.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7960 7.4920 2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 6.5360 3.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4660 6.3810 4.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5940 7.1780 4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8300 8.1320 3.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9300 8.2980 2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1580 9.2410 1.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3400 10.0300 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 5.3610 5.1790 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.2260 4.6580 5.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0110 5.2230 6.0950 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9320 5.5040 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 5.2470 -2.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 0.0020 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 1.4710 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.4530 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 1.5320 2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.0100 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 1.4010 3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 3.4760 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 3.3600 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 3.1280 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 3.0120 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 7.4360 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 7.1090 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 8.5320 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 5.9120 3.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2940 7.0530 5.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7120 8.7530 3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4000 10.7420 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2150 9.3800 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3080 10.5720 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 1.5650 1.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 4.9240 0.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 5.2610 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 5.9060 -3.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 5.9730 -4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 43 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 43 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 44 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END