PUBCHEM-ZINC03679333 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -2.9870 -1.6490 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -0.8570 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 0.8160 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 1.2240 2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 0.8720 3.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 1.4620 4.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 2.1050 4.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1170 2.6960 6.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 2.6400 7.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 1.9750 7.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 1.3810 6.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 0.7130 5.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 0.6310 7.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 3.3340 8.6020 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0990 3.0150 9.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1550 3.0520 9.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0490 3.9740 9.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2470 3.2800 9.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4930 3.6650 10.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4800 2.6940 10.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2400 1.3590 10.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0120 0.9510 9.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0340 1.9330 9.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7510 1.8190 9.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3270 0.9460 8.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7140 5.4210 9.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 5.6760 9.5750 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0480 6.7110 9.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 5.5550 10.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 5.1390 10.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -2.6340 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -1.5530 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -1.4810 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -0.7110 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -1.8800 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.1510 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 0.8930 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 1.4500 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 2.3050 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 0.6920 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 2.1620 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 3.1990 6.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 1.9410 8.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 0.0760 6.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 1.6260 7.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 0.0780 7.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6890 4.7030 10.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4400 2.9880 11.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0190 0.6190 10.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8290 -0.0910 9.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 5.9590 8.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1210 5.8160 10.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -0.6130 1.6930 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.7040 2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 4.8230 8.4660 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5440 4.9700 8.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 5.1600 7.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 5.8710 11.9540 O 0 5 0 0 0 0 0 0 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 1 53 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 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 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 55 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 55 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 M CHG 1 53 1 M CHG 1 55 1 M CHG 1 58 -1 M END