PUBCHEM-ZINC03679320 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -1.8700 1.2950 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 0.6710 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 2.9560 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 3.5770 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 2.7570 3.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 3.2360 4.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 2.5490 5.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 2.9310 7.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 4.0100 7.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 4.6840 6.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 4.3030 4.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 4.3870 8.5540 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1460 3.8630 9.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 5.8430 8.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6560 6.6290 9.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1600 7.9460 9.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 9.1660 9.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 10.3080 9.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 10.2480 9.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 9.0500 9.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 7.9160 9.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 6.6270 8.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 6.3210 8.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 6.0940 9.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 4.5580 9.5430 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8060 4.2100 10.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4850 4.1600 9.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4710 3.6720 7.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 0.2270 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 1.6660 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 1.8440 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 1.0510 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -0.3720 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 0.7610 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 3.4680 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 2.9720 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 4.5950 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 3.6050 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.7080 5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 2.3680 8.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 5.5170 6.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 4.8530 3.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 9.2240 10.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 11.2500 10.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 11.1470 9.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 9.0060 9.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5180 6.5340 10.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6220 6.4270 8.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 1.4920 1.2260 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0320 1.1470 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 3.8970 8.5880 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5520 3.9790 7.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 2.8820 8.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4080 4.3540 9.9310 O 0 5 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 49 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 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 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 51 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 49 1 M CHG 1 51 1 M CHG 1 54 -1 M END