PUBCHEM-ZINC04096257 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 1.0310 0.9250 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -0.1500 -0.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7720 -1.1130 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -0.1930 -0.3960 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6500 0.7840 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -1.3500 0.3670 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7480 -2.2610 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -1.6390 1.7160 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4070 -2.4080 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -0.4190 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -0.0400 3.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 0.1880 1.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -2.1690 2.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -2.9670 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -3.3690 3.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -3.3370 4.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -4.2030 5.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 -0.9710 0.5850 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3990 -0.3910 -1.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -0.6220 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 0.9540 -0.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 0.9470 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 0.7290 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 1.9190 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -1.8740 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 -2.4310 5.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -3.8480 4.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -4.2120 5.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 18 -1 M END