PUBCHEM-ZINC05350655 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -1.5010 -0.3020 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 0.1650 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 1.6310 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.0260 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -0.6860 1.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -0.6360 -0.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -0.3400 -0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 0.6180 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 0.9170 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 0.2620 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 -0.6920 -1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.9990 -1.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -2.0250 -2.7540 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2530 -2.6030 -3.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -2.2910 -2.7740 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8250 -0.1220 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -1.3670 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 0.2520 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 2.2630 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 1.9050 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 1.7690 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 1.1300 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 1.6620 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8820 0.4980 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 -1.2020 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 0.6930 2.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 0.5720 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END