PUBCHEM-ZINC03872985 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 59 0 0 1 0 0 0 0 0999 V2000 -0.1490 1.3940 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -0.1040 0.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0820 -0.5120 1.2350 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5950 -1.8990 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -1.9560 0.9990 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5750 -2.1040 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -0.7150 0.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -2.9890 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -4.2080 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -4.7740 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -6.0440 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -6.7330 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -6.1660 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -4.8840 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -4.0440 -1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -2.8890 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -1.8460 -1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -0.6360 -1.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 0.0140 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.1840 -2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 1.6340 -3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 0.9380 -4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -0.2440 -4.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -0.7280 -3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -1.9100 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -3.0470 -3.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -4.0990 -3.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -5.1360 -4.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -6.2010 -4.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -4.6920 -5.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -3.3960 -5.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -0.3610 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -1.3200 0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 0.3490 2.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 2.0440 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 1.6480 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 1.6590 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -2.7010 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -2.0410 2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -4.2500 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 -6.4990 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -7.7210 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -6.7250 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 1.7310 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 2.5350 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 1.2970 -5.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -0.7980 -5.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -5.2460 -6.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -2.7000 -6.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -3.4870 -5.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 0.9270 2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 0.7520 1.3920 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 34 1 0 0 0 0 4 5 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 8 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 27 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 33 2 0 0 0 0 32 52 1 0 0 0 0 34 51 1 0 0 0 0 M CHG 1 52 -1 M END