PUBCHEM-ZINC03869175 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.3430 1.5390 -0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 0.1530 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -0.5020 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 0.2910 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 1.6730 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 2.3000 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 3.7670 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 4.2590 -1.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 4.4520 -0.1350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 5.8940 -0.1590 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0650 6.4000 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 6.1680 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 5.7160 -2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 5.9080 -2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 6.4110 -2.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 6.4500 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 5.5790 2.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -1.9190 -0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -2.6250 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -2.9450 1.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1870 -3.5550 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -3.7610 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 -2.9030 0.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 -1.6350 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 -1.0970 1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 0.2430 2.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 0.6650 3.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 0.9330 2.5320 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 0.3490 1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 -0.8960 1.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4410 -1.3070 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9020 0.9630 1.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -1.7190 1.9770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -2.7060 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -3.9190 0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 2.0170 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -0.3770 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -0.1240 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 2.2450 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 3.9840 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 7.2420 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 5.6640 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 4.6470 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 6.2570 -2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -3.5790 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 -2.1000 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -4.3120 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -4.5040 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 -3.2540 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9740 1.9200 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7160 0.5360 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -1.2540 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -2.1550 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 5.5310 -3.9900 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5950 7.6740 1.4280 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 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 2 0 0 0 0 14 54 1 0 0 0 0 16 17 2 0 0 0 0 16 55 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 34 35 2 0 0 0 0 34 53 1 0 0 0 0 M CHG 1 54 -1 M CHG 1 55 -1 M END