PUBCHEM-ZINC06907124 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 0.0980 2.0130 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 0.6360 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 0.6560 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 0.1850 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 0.0390 -1.3250 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2750 1.0530 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 -0.4440 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -1.5330 -1.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 0.4800 -0.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9400 0.3100 -0.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.3660 -0.3440 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 -0.2470 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7310 -1.6880 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 -2.3240 2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5410 -1.5490 3.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 1.7040 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 2.6850 -0.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -0.8000 -2.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -0.2910 -3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 0.8120 -3.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -1.1390 -4.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -0.7190 -5.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -1.5400 -6.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -2.7740 -6.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -3.1900 -5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -2.3670 -4.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.7770 -2.8850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -3.6710 -2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -2.0460 -1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.5250 -0.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 2.3390 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 1.9970 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 2.7660 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -0.0860 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 1.3670 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.3340 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 0.9430 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -0.7500 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 0.9140 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 1.4050 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 0.3940 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2810 -0.2020 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1450 -2.3170 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -1.7350 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 0.2400 -6.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -1.2190 -7.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -3.4120 -7.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -4.1550 -4.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9300 -3.5770 2.6320 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.8930 1.6950 -0.6320 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 7 8 2 0 0 0 0 7 9 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 16 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 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 49 1 0 0 0 0 16 17 2 0 0 0 0 16 50 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 M CHG 1 49 -1 M CHG 1 50 -1 M END