PUBCHEM-ZINC06133162 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 0.0900 1.2630 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 1.4400 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 0.8970 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 0.1780 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -0.0040 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 0.5410 1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -0.3790 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 0.3330 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 1.8050 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.6110 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3430 3.9550 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 2.0770 2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 1.7310 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 3.9380 4.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0590 3.8030 5.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1400 4.6830 5.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6780 4.1400 7.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 4.5160 7.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 2.9180 7.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1850 2.7000 6.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9530 1.5170 6.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7510 0.5990 7.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7980 0.8390 8.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 2.0120 8.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 2.2950 9.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4290 3.4500 9.3400 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8360 1.6780 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 1.9920 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 1.0290 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -0.5750 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 0.3940 2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -1.4510 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6740 -0.2070 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 2.2230 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 2.3460 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 4.1890 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8140 3.8080 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2930 3.4260 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5240 5.0350 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 1.8700 3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 1.5000 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 0.6510 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 2.2580 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0120 4.9830 3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6180 3.3110 3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7570 5.6350 5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6920 1.3020 5.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3380 -0.3160 7.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 0.1020 9.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 2.1370 0.4630 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8180 1.5780 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7820 3.5510 2.9110 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9300 4.1010 3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 1.3650 10.2020 O 0 0 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 50 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 52 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 52 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 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 1 0 0 0 0 25 26 1 0 0 0 0 25 54 2 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 26 -1 M CHG 1 50 1 M CHG 1 52 1 M END