PUBCHEM-ZINC04533771 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 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 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4120 -1.7890 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -2.3710 3.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -2.8290 4.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -1.9060 5.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -2.3220 6.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -3.6690 7.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -4.5930 6.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -4.1700 5.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -6.0300 6.7580 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5070 -6.8400 6.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -6.4010 7.7460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9300 -3.7670 2.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -4.6940 1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -4.3860 1.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -6.1130 1.6420 C 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -1.3580 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -3.0410 3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -0.8580 5.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -1.6010 7.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -4.8880 4.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -4.0130 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -6.6870 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -6.5620 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -6.1160 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -4.0820 8.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -4.0960 9.1070 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 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END