IFLAB-ZINC04939506 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 0.9570 0.2300 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -0.9950 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -0.6250 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -0.5820 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -0.2470 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 0.0540 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 0.0250 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -0.3070 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -0.3280 -2.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -0.0510 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 0.3000 -3.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -0.1480 -4.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -0.4390 -6.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6620 -1.4390 -5.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -0.4900 -7.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -0.4930 -8.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -0.0790 -7.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 0.8490 -7.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 2.8400 -6.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 1.9220 -6.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6030 3.1470 -7.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -0.0730 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 0.8190 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 0.8860 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -1.6740 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -1.5710 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -0.8130 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -0.2220 2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 0.3140 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 0.2710 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -0.5740 -2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 0.7960 -4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -0.9430 -4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 -1.0420 -6.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -0.2330 -8.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5620 0.4610 -7.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2300 0.9690 -6.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 2.9850 -5.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 3.8110 -7.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 1.8420 -7.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 2.3110 -5.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0340 3.2860 -6.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3220 2.6790 -8.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2610 4.0980 -8.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -0.4840 -7.0900 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4620 0.5280 -6.1870 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.8140 0.5840 -5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 2.2350 -7.5430 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.0360 2.1300 -8.4990 H 0 0 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 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 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 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 46 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 48 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 46 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 48 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 45 -1 M CHG 1 46 1 M CHG 1 48 1 M END