IFLAB-ZINC04077868 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 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 3 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 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6800 -1.5980 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -0.0920 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 -0.8750 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 -0.2700 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 1.0030 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 1.5060 1.5740 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -0.4060 3.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 0.2710 4.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 0.4240 3.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -0.2530 2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 0.5290 6.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -0.8750 -2.5520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -1.2570 -3.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -1.7230 -2.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 0.6030 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 1.4060 -4.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 2.5640 -4.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 2.9220 -4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 2.1170 -3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 0.9560 -2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 4.0550 -4.4930 F 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 3.0530 -1.9020 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 -0.7910 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 1.6310 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -0.1520 3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -1.4870 3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.0940 5.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 1.3500 4.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 1.5050 3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 0.1700 3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -1.3320 2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 0.1130 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 1.6120 6.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 0.1160 7.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 0.2830 6.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.5560 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 1.1270 -4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 3.1920 -5.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 2.3950 -2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 0.3260 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 0.0600 2.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -0.0420 4.9420 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 49 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 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 49 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 50 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 49 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 44 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 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 M END