PUBCHEM-ZINC01019570 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.4130 2.1310 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 0.6370 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -0.1680 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -1.6500 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -2.4110 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -3.7850 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -4.4490 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -3.6630 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.2880 1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -5.8040 0.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -6.6420 1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -7.8940 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -8.5920 0.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -7.7330 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -6.5050 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -9.9320 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -10.5660 1.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -10.6230 -0.8780 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5420 -9.8840 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -11.0930 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -12.3450 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -13.4760 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -13.0560 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -11.7790 -1.1420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2500 -12.0390 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -11.3080 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 -10.1010 -1.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 2.3790 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 2.6880 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 2.4710 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 0.4290 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 0.3380 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 0.0470 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 0.1380 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -1.9470 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -4.3400 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -4.1120 2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -1.7240 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -6.1120 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -6.9380 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -7.6040 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -8.5480 2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -7.4150 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -8.2600 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -6.8290 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -5.8640 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -11.3080 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -10.3000 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -12.6710 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -12.1120 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -13.7990 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -14.3410 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -13.8790 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -12.9260 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -12.1880 -0.6470 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 M CHG 1 55 -1 M END