IFLAB-ZINC04139518 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 1.2950 -1.7560 -1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -1.0540 -0.6560 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1120 -0.0580 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -0.9250 0.8460 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6890 -0.4400 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -2.2730 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -2.8010 1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -4.0870 2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -4.5080 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -3.3570 1.8340 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 0.0090 3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 1.0230 3.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 2.3500 3.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 2.4610 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 1.5280 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -1.7900 -0.8440 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -1.1070 -0.5650 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -2.1500 -0.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -0.3400 0.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 0.0070 -1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -0.4680 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 0.4150 -4.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 1.7590 -4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 2.2250 -2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 1.3490 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -2.8020 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -1.7530 -2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -1.2440 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -2.2920 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -4.6760 2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -5.4380 2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 0.2270 3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -0.9940 3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 0.7810 3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 1.0060 4.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 2.2540 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 3.4980 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 1.5990 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 1.7640 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -2.8120 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 -1.5140 -3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 0.0580 -5.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 2.4450 -4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 3.2710 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 1.7220 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 0.0800 1.6350 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1750 -0.1550 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 46 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END