PUBCHEM-ZINC06026644 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 1.3570 2.0160 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 0.5550 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -0.2190 -1.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -1.5730 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -2.2700 -2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -3.6600 -2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -4.3870 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -3.6750 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -2.2820 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -5.9010 -1.6940 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6180 -6.2210 -2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -6.3040 -2.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -6.6350 -3.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -6.9890 -3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -7.0020 -2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -6.6860 -1.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -6.3370 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -8.1820 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -8.6770 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -7.6970 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -6.3390 -0.2090 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4600 -5.6950 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -5.6260 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -5.4650 1.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 2.1820 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 2.3230 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 2.6550 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 0.2700 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 0.4150 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -1.7240 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -4.1600 -3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -4.1820 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.7820 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -6.6160 -4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -7.2450 -4.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 -7.2700 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -6.0810 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -8.4510 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -8.5060 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -8.6270 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -9.7090 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -7.7480 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -7.9320 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -6.6740 -0.5200 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0750 -6.3970 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 -5.1740 1.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -4.7220 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 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 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 44 1 M END