PUBCHEM-ZINC06481088 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 1 0 0 0 0 0999 V2000 0.5940 1.3490 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 1.0390 2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 2.0800 3.4470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2020 1.9630 4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 3.4410 2.7690 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2080 4.1530 3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 3.1320 1.2800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1210 3.6920 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 3.3300 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 2.1970 0.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 2.3690 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 3.7580 2.9040 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0980 1.8950 3.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 2.5750 4.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 0.2640 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 1.7940 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 1.7760 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 0.8770 2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 0.0870 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 3.4020 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 4.2390 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 1.6320 1.0860 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3760 1.2970 0.7150 H 0 0 0 0 0 0 0 0 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 1 22 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 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 13 14 1 0 0 0 0 22 23 1 0 0 0 0 M CHG 1 12 -1 M CHG 1 22 1 M END