IFLAB-ZINC04553870 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -0.5890 -1.4900 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -0.2970 -2.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -0.2740 -1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -2.2400 -1.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -2.9400 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -4.4310 -1.6690 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3620 -4.8400 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -5.1510 -1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -6.1370 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -6.6470 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 -6.0760 -2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -4.8150 -2.8600 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -4.6500 -3.2480 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -4.1940 -4.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -4.2530 -3.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -6.3960 -3.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -7.1320 -4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -8.4880 -4.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -8.8530 -3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -7.4350 -2.9080 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -2.7440 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -2.8090 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -2.5310 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -6.5090 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -7.4480 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 -6.3440 -2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -6.7020 -4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -9.1960 -4.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -9.8640 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 M END