PUBCHEM-ZINC04544220 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 34 0 0 1 0 0 0 0 0999 V2000 -1.9370 -1.3390 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.1770 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 0.0260 0.6490 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7310 0.8820 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -1.1670 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -1.3550 1.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 1.6740 2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 1.8630 3.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 3.6510 5.5140 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1250 2.7520 5.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 4.1380 6.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 3.0940 6.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 4.7550 5.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 4.9590 4.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -1.1810 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -1.4370 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -2.2860 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -0.3430 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 0.7410 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 2.2040 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 2.1160 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 1.5160 3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.3360 4.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 5.0400 5.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 4.4350 7.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 3.4710 7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 2.1720 7.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 2.8510 5.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -1.7640 -0.3220 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4360 0.2520 2.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -0.2300 2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 3.3050 4.1210 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2130 3.7740 3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 3.8580 3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 5.2590 6.3580 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 30 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 30 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 M CHG 1 29 -1 M CHG 1 32 1 M CHG 1 35 -1 M END