PUBCHEM-ZINC04678474 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 0.2220 1.4530 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.0070 -0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -0.8330 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -2.1050 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.0600 -0.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.8110 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -0.3850 -2.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -1.3620 -3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -0.6440 -4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.4090 -5.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 0.2520 -6.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 0.6770 -7.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 0.4380 -6.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -0.2280 -5.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 0.8520 -7.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 0.5730 -6.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 1.3260 -8.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 0.5210 -9.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 0.4840 -7.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 0.0190 -6.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -0.4130 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -1.2700 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.8720 4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 0.3740 5.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 1.2280 4.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 0.8400 2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 2.5590 4.4790 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5570 2.9010 5.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 3.3120 3.5880 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2740 1.7360 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 1.8510 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 1.8590 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -2.9980 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.5610 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -2.0540 -3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -1.9160 -3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -0.7390 -5.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -0.4180 -4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 0.9560 -6.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 -0.5050 -6.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 1.0540 -5.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 1.1610 -10.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -0.1750 -9.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -0.0380 -9.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 0.2680 -7.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 0.4970 -5.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 -1.0620 -6.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -2.2420 3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -1.5330 5.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 0.6810 6.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 1.5060 2.0380 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 6 1 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 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 37 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 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 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 51 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