PUBCHEM-ZINC04678533 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 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 -0.4080 -5.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 0.2500 -6.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 0.6740 -7.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 0.4380 -6.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -0.2280 -5.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 0.8540 -7.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 1.5280 -8.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 1.9120 -8.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 3.1360 -8.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9080 3.4880 -8.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 2.6160 -9.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1560 1.3920 -9.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 1.0420 -9.4780 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 -0.7380 -5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 0.4340 -7.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 1.1890 -8.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -0.4160 -4.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 2.4260 -8.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 0.8680 -9.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 3.8180 -7.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3130 4.4440 -8.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6780 2.8910 -9.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7550 0.7110 -10.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 0.0880 -9.7790 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 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 23 1 0 0 0 0 4 5 1 0 0 0 0 4 35 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 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 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 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 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 51 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END