PUBCHEM-ZINC03622270 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 1 0 0 0 0 0999 V2000 -0.7710 1.8820 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 0.4460 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -0.0980 1.1520 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5350 0.5870 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -1.4900 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -0.4950 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 0.0160 4.9170 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5890 -0.6430 5.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 0.1840 6.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 0.6300 7.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 0.8070 8.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 0.6620 8.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 0.8560 9.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 1.2270 10.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 1.3760 10.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 1.1670 9.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 1.3390 9.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 0.3730 10.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 2.7880 9.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 0.7290 10.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 1.2870 4.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 1.6950 5.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 2.5440 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 2.2460 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 1.9640 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -0.1950 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 0.4100 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -2.2090 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -1.4690 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -1.8650 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 0.0510 3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -1.5730 3.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -0.7760 6.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 0.9460 5.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 0.3990 7.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 1.4030 11.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 1.6630 11.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 1.1050 8.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -0.6640 10.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 0.5810 11.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 0.4490 9.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 3.4770 8.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 2.9140 9.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 3.0940 10.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 1.6810 9.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 0.4450 11.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 -0.0470 9.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -0.1730 2.5090 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3280 0.7550 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -0.8010 2.5090 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 3 5 1 0 0 0 0 3 48 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 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 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 48 1 M END