PUBCHEM-ZINC04700615 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -2.0190 0.1550 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -0.7740 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -0.9050 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -1.7690 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -2.4870 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -2.3530 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -1.5020 -0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -1.3690 -1.6670 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4590 -2.1090 -2.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -0.5200 -1.3890 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3860 -0.1320 2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 1.0670 2.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -0.7560 3.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -2.2150 3.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 0.0250 4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 0.1790 5.4850 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6690 -0.8060 5.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 0.9940 6.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 1.0400 7.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 1.7310 8.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 1.8150 9.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 2.5170 10.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 3.1370 11.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 3.0520 10.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 2.3460 9.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 3.8280 12.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 4.4420 12.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 0.8530 4.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 1.1040 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 -0.2950 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 0.3290 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -1.8740 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -3.1560 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -2.9170 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -2.4900 3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -2.5890 4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -2.6500 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -0.4890 5.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 1.0100 4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 0.5270 7.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 2.0080 6.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 1.3320 9.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 2.5830 11.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 3.5350 10.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 2.2770 8.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 5.1570 11.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 4.9600 13.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 3.6760 12.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 1.7380 4.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END