IFLAB-ZINC00139800 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.4520 2.1040 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 0.6520 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -1.5730 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -2.1600 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -2.3740 3.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -2.8810 3.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 -3.2000 2.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 -3.7050 3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 -4.0460 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 -3.8760 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 -3.3740 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 -3.0380 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -2.5260 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -2.3530 -0.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -2.0710 4.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 0.4810 1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.0410 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 0.5130 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0090 0.2200 1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 0.7290 3.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 0.1790 2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 2.7230 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 2.5230 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 2.1990 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 0.1430 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 0.5490 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -2.0180 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -1.8160 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -3.8340 4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3530 -4.4360 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 -4.1300 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 -3.2340 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 -2.9570 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -1.0000 4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -2.3600 5.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -2.6300 4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 1.5700 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -1.1350 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 0.2440 -0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0240 0.0790 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 1.5980 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 -0.8620 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 0.6840 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 0.4430 3.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 1.8250 2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 0.6270 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -0.8980 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -0.0490 1.4650 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2240 0.1850 2.3650 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 25 1 0 0 0 0 2 26 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 37 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END