PUBCHEM-ZINC03869489 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0510 1.4240 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 0.0080 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -0.3990 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -1.7610 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -2.2050 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -3.6540 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -4.5470 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -4.0980 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -4.8150 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -2.7730 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -2.3850 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -0.9540 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -0.6840 -0.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 -3.3180 -0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -6.0980 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -6.7920 0.2140 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2930 -1.3660 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -1.8780 -0.7440 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0460 0.7260 -0.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 0.7230 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 1.8310 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 3.1980 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 4.1230 -0.3850 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9050 2.0740 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 -3.9790 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -2.7860 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -6.4730 0.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -0.2470 0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 3.3600 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 2 0 0 0 0 17 18 1 0 0 0 0 17 28 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 29 2 0 0 0 0 M CHG 1 16 -1 M CHG 1 18 -1 M CHG 1 23 -1 M END