PUBCHEM-ZINC05554709 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 1.2840 -2.0870 2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -1.7110 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -2.4400 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -2.6670 -0.0480 N 0 3 3 0 0 0 0 0 0 0 0 0 -2.6130 -4.1020 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -4.9390 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 -4.7680 0.5680 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4730 -5.1550 1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 -6.4670 2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 -7.4740 1.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9650 -8.3930 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6280 -7.0540 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 -5.6790 0.2790 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.7030 -5.7470 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9270 -4.9360 -0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7440 -3.6170 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5290 -3.4220 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 -2.1740 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -1.0810 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0570 -1.2530 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5490 -2.5060 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7710 -2.6410 -1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5200 -1.4440 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 -2.1130 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -7.7510 0.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 -2.3020 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -1.5680 2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -1.7980 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -3.1640 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -0.6340 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -2.0000 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -3.5160 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -2.1510 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.9790 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -2.4320 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -4.3770 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -4.3790 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 -4.5940 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -5.9880 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -4.4360 2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -6.8270 3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 -7.0510 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4610 -7.7570 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4490 -0.0890 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6750 -0.3840 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9580 -0.7780 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4730 -1.6930 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7030 -0.9490 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 -2.7140 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 -1.0790 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -8.1080 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -2.6740 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 -2.7430 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -1.2170 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 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 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 M CHG 1 5 1 M END