PUBCHEM-ZINC03869657 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 35 0 0 1 0 0 0 0 0999 V2000 -0.5160 1.9840 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 0.7580 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 0.0540 -0.5160 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5010 0.4960 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -1.4430 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -2.2740 -0.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 0.2070 -1.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 1.3980 -1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 2.4560 -1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 1.2690 -2.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 2.6280 -3.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3580 2.5870 -4.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6670 1.4490 -4.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 2.7890 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 4.1420 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 3.0610 1.6680 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7490 3.1410 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 2.1270 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 5.3660 1.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 6.2090 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 5.4780 2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 2.6340 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 1.6640 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 1.0730 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 0.0800 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -0.6670 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 0.7270 -3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 0.6610 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8870 3.1400 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 3.2550 -3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 2.2130 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 3.0850 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -1.6400 0.6760 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.7470 3.7260 -4.9190 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8810 4.0360 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 4.8880 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 16 1 M CHG 1 33 -1 M CHG 1 34 -1 M END