PUBCHEM-ZINC06193297 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 0.8410 -2.5550 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -2.1520 1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.1480 3.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -0.0560 3.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -0.1420 1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 1.3010 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 1.8150 0.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 2.1380 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 3.6200 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 4.4420 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 5.8780 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 6.7400 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 8.1210 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 8.6380 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 7.7650 -1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 6.3990 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 5.5300 -1.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 5.8950 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 4.1710 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.4510 -1.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 10.1090 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 9.0180 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 1.9740 1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4040 1.8880 1.8120 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 2.1780 3.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 2.1040 4.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 0.7200 5.1310 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8060 -0.0600 4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 0.5900 6.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 1.0030 7.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 0.4450 6.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 0.5190 5.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -2.2680 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -3.6410 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -2.0950 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -2.4800 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -2.5860 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 0.8470 3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -0.8360 3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 0.3350 4.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 0.6200 2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 -1.0310 2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -0.7970 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 -0.2630 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 1.2990 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 1.9860 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 1.8050 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 1.5700 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1590 4.0670 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0960 6.3390 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 8.1600 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 10.4500 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 10.3340 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 10.6800 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2370 9.5230 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 9.7630 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0560 8.4520 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 2.4280 3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 2.3370 4.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 2.8810 5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 -0.4610 6.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8480 1.1800 6.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 0.6230 8.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 2.0960 7.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -0.6080 6.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 1.0000 6.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -0.6380 1.8450 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4310 -0.2360 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 67 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 67 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 5 67 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END