SIAL-ZINC04533846 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 38 0 0 1 0 0 0 0 0999 V2000 -0.0040 2.5590 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 1.1090 -1.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0610 0.5680 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 0.9130 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 1.6370 -0.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -0.2810 -1.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 -1.0580 -1.5010 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1730 -0.4520 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -2.3130 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -2.0190 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -1.5830 0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 -1.4620 -2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -2.3300 -3.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -0.6980 -3.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -0.8390 -4.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2960 -0.8210 -5.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 -2.1260 -4.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1920 -2.7230 -5.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 -2.4690 -6.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9640 0.4030 -4.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8320 1.2340 -3.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 2.6030 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 1.5750 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 3.0480 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 3.1250 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 -0.6910 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -2.9050 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -2.9610 -1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5380 0.0860 -2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2860 -2.9200 -3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7590 -1.9670 -3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -2.2480 1.6510 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.2120 -3.4770 -5.7600 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.7240 0.4590 -5.5780 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0760 0.4470 0.2420 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5120 0.8700 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 0.6140 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -0.5970 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 3.6360 -0.9980 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 32 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 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 M CHG 1 32 -1 M CHG 1 33 -1 M CHG 1 34 -1 M CHG 1 35 1 M CHG 1 39 -1 M END