PUBCHEM-ZINC06358089 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.9180 1.1770 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -0.1660 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -0.7040 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 0.0180 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -1.2410 0.7180 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3550 -1.0450 0.9390 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9560 -1.1740 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -2.1000 1.9840 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2770 -2.9350 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -2.5720 2.6150 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2520 -3.5860 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -2.6720 4.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -3.9480 4.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -4.1030 6.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -2.9530 6.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -1.6710 6.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -1.5360 4.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -0.6470 7.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 0.6750 6.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -3.0610 8.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -5.3020 6.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -6.4770 5.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 -1.3760 2.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 -1.9160 3.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 -0.0350 2.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 0.2570 1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 1.3780 1.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2730 0.9820 3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -2.3410 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -1.9000 -1.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 1.0680 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 1.5630 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 1.9270 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -0.8640 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -0.1090 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -1.7460 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -0.6800 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 0.7560 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 0.4870 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -4.8160 4.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -0.5530 4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 0.8880 6.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 1.3700 7.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 0.8430 6.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -2.1400 8.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -6.4860 5.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -6.5940 5.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -7.3360 6.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 0.5630 4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 1.7790 3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0710 1.4090 2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -1.7400 2.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -0.9490 2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -3.5340 -0.0810 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 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 29 1 0 0 0 0 5 52 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 52 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 21 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 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 28 1 0 0 0 0 26 27 2 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 54 -1 M END