PUBCHEM-ZINC05550776 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 49 0 0 1 0 0 0 0 0999 V2000 -0.7750 0.9510 9.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -0.5500 9.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -0.8770 7.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -2.3880 7.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -2.7150 6.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -4.2290 6.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2140 -4.6500 6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -4.5020 4.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -5.2150 3.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -5.9300 3.6080 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5380 -5.3530 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -7.4040 4.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0820 -7.9500 3.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -8.0880 3.7190 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -9.1560 3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -7.9150 2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -6.4450 1.8320 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0200 -5.8580 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -5.9070 2.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -6.3450 0.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -7.5170 4.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -7.7990 5.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -7.3800 5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -8.6410 6.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -8.2300 7.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -6.9970 8.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -4.7970 7.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 1.4170 8.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 1.1620 10.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 1.4220 9.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -0.9880 10.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -0.9940 9.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -0.4320 7.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -0.4270 7.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -2.8290 8.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -2.8360 7.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -2.2410 5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -2.2760 6.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 -4.0900 4.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -5.3220 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -8.4890 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -8.3100 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -5.3940 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -6.9730 5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -6.6850 6.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -9.0990 6.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -9.3720 6.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -5.6750 7.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -9.1850 8.7450 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 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 27 48 1 0 0 0 0 M CHG 1 49 -1 M END