IFLAB-ZINC04374429 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 2.3450 1.3310 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -0.0690 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -0.7570 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.0460 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 1.3520 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 2.0700 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 3.4940 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 4.2800 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 5.6740 -0.4060 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2000 6.4520 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 5.7560 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 4.3310 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 4.0380 -0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 5.8140 -1.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 7.0460 -2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 8.0870 -1.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 7.0440 -3.8360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 8.3040 -4.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 8.6650 -5.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 6.2230 -5.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 5.9010 -4.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 7.8270 -7.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 7.0530 -8.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 7.0340 -8.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 6.6600 -9.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -0.6560 0.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -2.0380 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -2.7070 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -2.1240 -0.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 1.8150 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -0.6160 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 1.8560 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 3.8780 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 4.2880 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 6.4360 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 6.0280 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 4.9740 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 8.1690 -5.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 9.1290 -3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 9.5380 -6.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 8.8510 -5.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 6.3680 -5.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 5.4230 -6.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 5.0070 -4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 5.6810 -5.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 7.5850 -7.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 8.9010 -7.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 7.5340 -9.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 6.0180 -8.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -2.5160 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -2.1020 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -2.6130 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -3.7720 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 7.5100 -6.4960 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1490 7.3580 -7.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 54 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END