SIAL-ZINC04543467 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 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 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 0.2540 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -1.8830 0.0080 C 0 5 0 0 0 0 0 0 0 0 0 0 -2.8980 -2.3460 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -3.6170 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 2.0550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9540 1.6330 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 3.5580 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 4.2420 0.8680 O 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -2.5740 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -3.9530 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 2.0490 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 4.1360 -1.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 1.6690 1.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 0.6660 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 5.1030 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 M CHG 1 5 -1 M END