PUBCHEM-ZINC05501197 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 48 0 0 1 0 0 0 0 0999 V2000 1.2160 3.1680 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 1.6510 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 1.2450 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 3.5880 -1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 5.1090 -1.3690 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7010 5.5840 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 5.2750 -2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 5.5930 -3.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 5.7350 -2.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 6.1390 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 6.0950 -0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 6.6710 -2.4060 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3770 7.4040 -3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 5.5130 -3.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 5.9750 -4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 4.7920 -5.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 4.4900 -7.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 3.1640 -6.8880 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.2100 2.5990 -7.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 2.6910 -6.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 5.0580 -8.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 6.0440 -8.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7350 4.5080 -8.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 3.5010 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 3.6390 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 1.1810 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 1.2930 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 1.6420 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 1.5420 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 3.1540 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 3.1430 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 5.8650 -3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 4.8370 -3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 4.9140 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 6.6190 -4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 6.5810 -5.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 4.1460 -5.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 4.2220 -4.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.2300 0.7950 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2210 -0.6770 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -0.5430 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -0.5910 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 5.0760 -1.7380 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6850 5.2680 -6.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 6.2530 -6.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 7.4030 -1.6040 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0370 6.8760 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 7.5820 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 8.3060 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 39 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 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 46 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 M CHG 1 18 1 M CHG 1 39 1 M CHG 1 43 -1 M CHG 1 46 1 M END