PUBCHEM-ZINC03871461 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 -0.5960 2.1210 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 0.6410 1.8870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1920 0.5130 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -0.2430 2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 0.0170 1.2420 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -1.2170 1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -1.9060 2.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 -1.3380 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 0.1580 2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -0.2290 3.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 0.1720 2.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 0.7500 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 1.0940 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -0.0350 1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -0.4410 2.6270 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3580 -0.0600 3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 -1.9690 2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -2.5850 1.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 -2.5670 3.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -4.0220 4.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6310 -4.4940 3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 -4.6020 3.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -4.4440 2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4700 -3.5490 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0980 -3.3900 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 -4.1240 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 -5.0190 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -5.1800 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -4.3870 5.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -3.4580 6.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 2.7090 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 2.5410 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 2.2670 3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -1.2980 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -0.0510 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 -1.6070 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 -2.1280 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9620 -0.4000 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -0.0180 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 1.6240 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 1.1780 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 2.0480 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.8610 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2830 0.2900 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 -2.0260 4.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 -4.1380 4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -5.6740 4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 -2.9650 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9230 -2.6920 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1470 -3.9960 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -5.5870 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -5.8680 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -5.5530 5.6190 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 29 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 53 -1 M END