PUBCHEM-ZINC00292343 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.3820 1.4940 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 0.0990 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -0.1390 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -1.4040 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.4500 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -2.2590 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.9570 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -0.6800 -2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -4.1030 -2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -4.5260 -3.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -4.3030 -3.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -3.8590 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -5.7730 -5.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -6.7510 -5.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -6.3770 -6.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -7.2680 -6.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 -8.5440 -5.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -8.9380 -5.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -8.0400 -4.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 -9.4760 -5.9850 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.2710 -9.0880 -6.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 -10.5970 -5.4680 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3190 1.9810 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 1.4710 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 2.1090 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 0.6670 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -1.5790 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -3.4400 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 0.3240 -2.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -1.3610 -3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -0.7780 -2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -4.9930 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -3.5070 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -3.6600 -4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -5.2270 -3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -4.8510 -3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -3.4500 -4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -3.1190 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -4.7170 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -6.2800 -5.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -4.9150 -5.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -5.3850 -6.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -6.9510 -6.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -9.9300 -4.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -8.3610 -4.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -5.2290 -3.8230 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0430 -6.0330 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -3.3560 -1.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 48 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 46 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 46 1 M END