PUBCHEM-ZINC02734786 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 0.1390 2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -0.4960 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -1.8900 3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -2.6350 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -2.0040 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.8100 0.0270 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0930 -4.0270 0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -2.2570 -0.9040 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4670 0.3050 4.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 1.5190 4.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 -0.3100 5.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 0.4830 6.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3180 -0.4380 7.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -1.6360 7.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.2170 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -2.3860 3.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -3.7140 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.2790 5.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 1.1250 5.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 1.0990 6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9430 0.0700 8.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 -0.5600 9.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END