PUBCHEM-ZINC05976657 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.4280 1.0260 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -0.3120 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.4790 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -1.4540 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -0.4080 -1.3560 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4630 -1.4370 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.5360 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 0.5890 -2.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 1.1840 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 1.2400 -4.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0510 1.8030 -4.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5630 1.8260 -5.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 1.2910 -6.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 0.7400 -6.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 0.7070 -5.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 0.1670 -5.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.0920 -3.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -0.5070 -3.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -1.3040 -4.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -1.8420 -6.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -2.6650 -6.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 -3.2380 -7.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -3.0150 -8.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -2.1880 -8.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -1.6110 -7.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -3.6610 -9.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 -4.3430 -9.8020 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1840 -0.1580 -2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 1.7640 -1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0020 1.1860 -1.4740 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2550 1.8800 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 1.1690 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 1.0650 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.5420 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -1.3930 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 0.3700 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -1.3440 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -2.4310 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -1.4740 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 1.5570 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 0.2010 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 2.2200 -3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 2.2560 -6.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 1.2970 -7.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 0.3180 -7.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -1.6390 -4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -2.8670 -5.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 -3.8690 -7.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -1.9980 -9.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -0.9800 -7.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -0.7450 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 0.8960 -2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -3.4800 -10.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 2.7820 -1.2790 O 0 0 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 5 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 46 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 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 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 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 53 2 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 54 2 0 0 0 0 M CHG 1 27 -1 M CHG 1 30 -1 M END