PUBCHEM-ZINC03870538 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.3860 1.7340 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 0.3390 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -0.4420 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 0.1760 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 1.5720 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 2.3700 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 3.8940 0.7340 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6480 4.2840 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 4.4400 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 5.8480 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 6.9540 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 8.2540 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 8.4650 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 7.3620 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 6.0600 -1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 7.6280 -3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 6.6620 -3.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 8.9300 -3.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 9.8900 -2.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 9.7430 -1.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 10.5400 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 11.1800 -3.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 4.3150 2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 4.5800 2.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -1.9170 0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -2.4510 1.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -2.5760 -0.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -4.0330 -0.4860 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0330 -4.4500 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -4.7030 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 -4.6930 1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 -5.4700 2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2120 -5.8940 1.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -4.3680 -2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -3.4430 -2.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 2.3230 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -0.1350 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -0.4120 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 2.0340 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 4.4230 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 3.7930 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 6.8090 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 9.0900 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 5.2110 -2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 11.3550 -4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 11.9720 -2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -2.0790 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 -5.7450 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -4.2070 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 -3.6620 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -5.1190 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 4.3630 3.0590 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1350 -5.5910 3.6370 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5940 -5.4890 -2.3600 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 25 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 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 53 1 0 0 0 0 34 35 2 0 0 0 0 34 54 1 0 0 0 0 M CHG 1 52 -1 M CHG 1 53 -1 M CHG 1 54 -1 M END