PUBCHEM-ZINC05360772 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.5140 1.2300 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -0.2560 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -0.7490 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -2.1340 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -2.9260 -0.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -2.4130 -1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -1.1040 -1.8030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -3.2670 -2.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -2.7530 -3.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -1.6230 -4.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -1.1140 -5.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -1.7320 -6.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -2.8680 -6.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -3.3730 -5.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -1.1880 -7.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -0.1460 -7.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -1.9250 -9.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -2.6730 1.9490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.0560 2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -4.6820 3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -6.0460 3.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -6.7920 2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -6.1690 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -4.8030 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -8.1360 2.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -8.8420 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 0.1690 1.6530 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8320 0.5590 2.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 0.5350 2.2250 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5470 1.5770 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 1.4480 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 1.7400 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -4.2240 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -1.1480 -3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -0.2380 -5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -3.3470 -7.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -4.2520 -4.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -2.7830 -8.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -1.2570 -9.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 -2.2690 -9.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -2.0920 2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -4.1010 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -6.5320 4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -6.7500 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -4.3170 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -8.4520 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -8.7100 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -9.9020 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 27 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 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 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END