PUBCHEM-ZINC06008250 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -4.9650 -2.9850 -4.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 -3.2920 -3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -3.8350 -2.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 -4.1090 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -3.9930 -1.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -3.5910 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -3.1100 -3.7410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -3.5520 -2.1160 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -4.8340 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -4.6760 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -3.4520 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -3.2860 2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -1.9000 2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -1.2720 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -2.1940 0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 0.1160 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 0.9950 1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 2.3280 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 2.8050 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 1.9520 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 0.6080 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -0.2140 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -0.8290 -1.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -6.2930 -1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -7.0780 -0.4740 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.6930 -2.2620 -4.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -2.5560 -5.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 -3.8920 -4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -5.5610 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -4.0890 3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -1.4260 3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 0.6360 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 2.9940 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 3.8440 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 2.3460 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -6.5520 -2.6080 O 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 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 22 23 3 0 0 0 0 24 25 1 0 0 0 0 24 36 2 0 0 0 0 M CHG 1 25 -1 M END