PUBCHEM-ZINC04115582 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -1.9400 1.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -2.5540 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -1.7960 3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -2.4200 4.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -3.8060 4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -4.5650 3.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -3.9400 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -4.7480 1.2610 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4600 -5.0700 0.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -5.0910 1.3580 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1330 -6.0420 3.4430 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2490 -6.6660 4.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0650 -6.6350 2.9300 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2990 -4.4390 5.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -0.7180 3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 -1.8290 5.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 -3.9090 6.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -5.4070 5.5010 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 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 14 1 M CHG 1 16 -1 M END