PUBCHEM-ZINC02032922 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 1.6140 2.4850 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 2.4780 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 3.1320 2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 3.7610 3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 3.0920 2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 3.5080 4.5710 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6570 2.9410 4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 4.9960 4.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 5.5510 5.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 5.7750 5.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 6.3060 6.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3350 6.6210 7.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 6.4010 7.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 5.8600 6.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 5.5160 6.9590 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 3.7290 6.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 2.9670 5.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 1.5630 6.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 0.9380 7.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 1.7000 8.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 3.0840 8.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 6.5170 6.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 2.5560 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 1.4270 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 2.9990 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 1.4070 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 2.5690 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 4.1810 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 2.5870 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 3.6490 4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 4.8200 3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 3.6290 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 2.0590 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 5.6420 4.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 5.1110 3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 5.5390 4.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 7.0380 8.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 6.6440 8.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 0.9290 5.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -0.1410 7.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 1.2210 9.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 3.6610 8.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8780 6.2960 5.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 6.9020 7.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 3.1170 0.9400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 3.0830 3.3930 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6090 2.0900 3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 45 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 46 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 46 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 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 36 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 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 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END