PUBCHEM-ZINC03706666 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.7860 0.6360 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -0.8600 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -1.1890 0.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -2.4770 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -3.5320 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -4.8120 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -5.0480 2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -4.0070 3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -2.7110 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -1.5560 3.4760 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1620 -0.7750 2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -0.9410 4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 0.2630 3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 0.5510 4.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -0.4660 5.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -1.7310 5.6040 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 1.7750 4.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -2.5050 3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 -3.5940 4.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 -3.0890 5.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 -0.8150 5.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 -0.7160 5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 0.9200 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 0.9450 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 1.1900 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -1.1120 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -1.3890 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -3.3930 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -5.6250 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -6.0440 2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -4.2320 4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 0.9170 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -0.5300 6.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 1.6510 4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 1.9750 5.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 2.6510 4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 -1.6920 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -2.9560 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0710 -4.2630 4.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 -4.2150 3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 -3.9280 6.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6150 -2.5430 5.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5660 -0.5020 5.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 -0.1490 6.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -0.6170 6.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 0.1750 4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -1.9130 4.3850 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5900 -2.6320 5.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -2.1830 6.4290 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3080 -2.6450 6.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 -2.0510 7.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 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 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 47 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 49 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 M CHG 1 47 1 M CHG 1 49 1 M END