PUBCHEM-ZINC01437865 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0490 -2.0650 3.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -1.9870 2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -4.3140 2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -3.9310 2.4390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4420 -4.2610 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -4.5360 3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -5.3420 2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -5.8970 3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -5.6460 4.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -4.8400 5.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -4.2890 4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 -6.2390 5.8250 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3240 -6.9480 5.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -6.0170 7.0230 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1080 -3.1310 3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 -1.9090 3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 -1.9180 4.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 -0.7980 5.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0550 0.3310 4.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 0.3400 3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 -0.7820 2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -1.9880 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 -1.0110 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -4.9640 3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -4.8230 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -5.5390 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -6.5270 3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -4.6430 6.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -3.6620 5.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 -3.1780 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 -4.0240 3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1710 -2.8000 5.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2930 -0.8040 6.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5460 1.2070 5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 1.2220 2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 -0.7770 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -3.0530 3.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END