PUBCHEM-ZINC03679323 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.7060 0.9870 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 2.2840 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 3.3510 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 3.2250 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 2.7610 3.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 2.9800 4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 2.9290 5.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 3.1780 7.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 3.4700 7.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 3.4880 6.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 3.2360 4.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 3.8480 8.5620 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0420 3.6280 9.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 3.1340 8.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2070 3.7120 9.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1410 2.6640 9.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4890 2.6190 9.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1250 1.3780 10.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4390 0.1950 9.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 0.2150 9.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4790 1.4630 9.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 1.7750 8.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 1.0890 8.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 5.1870 9.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 5.9190 9.5400 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6210 5.8920 10.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 7.3500 9.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 7.5060 7.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 0.0800 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 1.3360 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 0.7970 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 2.6940 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 1.3260 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 2.9820 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 3.5840 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 4.1300 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 4.2140 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 2.5090 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 2.7210 5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 3.1600 7.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0040 3.7110 6.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 3.2540 3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0340 3.5340 10.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1650 1.3410 10.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9520 -0.7580 9.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5700 -0.7060 9.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 5.5290 8.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0000 5.4250 10.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 2.0560 1.2000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0230 1.7200 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 5.3220 8.6190 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0680 5.8030 8.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 5.7430 7.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 8.1130 9.8280 O 0 5 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 49 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 51 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 24 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 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 49 1 M CHG 1 51 1 M CHG 1 54 -1 M END