IFLAB-ZINC04568848 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 0.3360 1.6070 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 1.0940 2.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 1.4370 3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 3.7960 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 3.3780 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 3.3190 4.9390 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7950 3.1860 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 2.3600 6.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 2.7790 7.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 3.2480 8.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 3.2790 8.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 3.7070 9.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 4.3630 9.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 4.7960 10.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 4.5840 11.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 3.9430 12.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 3.5050 10.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 3.7250 13.3640 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2550 4.2080 14.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 3.0650 13.4270 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5290 4.7830 5.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 5.2340 5.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 6.5850 6.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 7.4670 5.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 7.0440 5.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 5.7180 5.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 8.0680 5.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 9.1920 5.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 8.8100 6.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 0.5710 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 1.7110 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 2.2340 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.1570 2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 0.0520 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 1.2830 3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 0.8170 4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 4.8230 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 3.7200 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 4.0240 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 3.5610 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 1.3750 5.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 2.2200 6.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 2.7040 7.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 4.5740 8.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 5.3080 10.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 4.9300 12.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 3.0100 10.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 4.5320 6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 6.9280 6.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 5.4300 4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 9.8680 4.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 9.7270 6.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 1.9730 0.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 2.8970 3.7160 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0850 3.0290 3.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 53 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 54 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 54 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 54 1 M END