PUBCHEM-ZINC05030580 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.5820 1.5210 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -0.0070 -0.2580 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5260 -0.3250 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -0.5150 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -1.9850 1.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -2.5020 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -1.9740 -1.3840 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2700 -2.3500 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -0.5440 -1.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -2.4440 -2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -2.4840 2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -1.6380 3.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.0810 4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -3.4540 4.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -4.3120 3.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -3.7960 2.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -5.6860 3.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -6.2940 3.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -7.7840 3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -8.4640 3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -7.7810 3.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 -6.2910 2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -3.9870 5.8670 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2500 -4.2090 6.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 -4.2050 6.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8110 -1.1890 5.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 1.8400 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 1.8830 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 1.9310 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -0.1500 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -0.1540 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -2.1690 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -3.5920 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -3.5330 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -2.0670 -3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -2.0660 -2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -5.8030 4.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -6.1740 2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -7.9040 5.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -8.2380 3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -9.5170 3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -8.3780 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -7.9010 4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -8.2330 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -6.1710 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 -5.7990 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -0.2340 5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 -1.5190 6.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END