PUBCHEM-ZINC05498852 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 -0.8750 0.8930 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 0.3500 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 1.4500 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -0.7210 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -0.3510 -0.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 0.2930 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 1.4840 -1.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -0.6030 -1.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 -0.3140 -2.2940 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6210 0.7010 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1180 -0.4840 -3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 0.6030 -4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 1.8970 -4.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 2.8710 -5.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 2.5440 -5.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 1.2300 -5.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 0.2570 -4.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 3.5650 -6.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 3.2620 -6.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 4.5220 -7.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 4.7800 -8.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 5.9580 -9.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 6.8920 -8.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 6.6500 -7.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 5.4720 -6.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 -1.3140 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 -2.3840 -1.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 1.7110 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 0.1110 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 1.2760 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 1.8680 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 1.0600 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 2.2780 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -1.5470 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -1.1620 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -0.3120 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -1.5590 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0870 -0.5070 -4.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 -1.4540 -4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 2.1490 -4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 3.8860 -5.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 0.8800 -5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 2.4810 -7.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 2.9170 -5.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 4.0680 -9.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 6.1500 -10.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 7.8100 -8.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 7.3790 -6.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 5.3020 -5.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 -0.9360 -2.2420 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 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 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 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 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 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 M CHG 1 50 -1 M END