PUBCHEM-ZINC01850153 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 1.8470 -4.3490 3.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -3.8180 2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -2.2940 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 -1.6490 3.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -1.6980 1.2850 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -0.2650 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 0.3750 1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 1.7540 1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 2.5280 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 1.9190 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 0.5370 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -2.4950 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -2.0740 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -3.0000 -2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -3.5710 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -2.6670 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -3.7140 -3.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -2.9600 -3.6040 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8550 -3.3010 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -3.1120 -5.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 -4.0160 -5.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 -4.1810 -6.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 -3.4500 -7.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 -2.5530 -7.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -2.3860 -6.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -1.5770 -3.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -4.0370 4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -5.4420 3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -3.9800 4.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -4.1680 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -4.2230 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -0.1930 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 2.2200 2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 3.6010 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 2.5200 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 0.1280 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -3.5050 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -1.0550 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -2.0880 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -2.6150 -3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -4.0250 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -4.5960 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -3.5860 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -3.0930 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -1.7050 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -4.7810 -3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -3.5950 -4.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 -4.5990 -4.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 -4.8810 -6.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -3.5780 -8.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 -1.9840 -8.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 -1.6810 -5.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -1.0560 -3.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -3.0410 -2.1960 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4570 -2.0650 -2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 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 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 54 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END