SIAL-ZINC04543684 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 1 0 0 0 0 0999 V2000 -0.1620 1.1460 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.1620 0.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -0.4280 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 0.7160 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 1.7250 0.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 3.1290 -0.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1800 3.3900 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 3.5090 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 4.9820 -1.4550 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9760 5.5240 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 4.9760 -0.5200 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9810 4.6950 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 3.9370 0.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 6.2980 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 6.1270 1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 5.2620 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 5.4940 -2.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 6.6430 -3.3160 P 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 5.9470 -3.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 0.8440 -0.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 -2.3520 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 -0.2930 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -1.5120 -0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -1.6820 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -2.7790 0.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1830 -0.3490 -0.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 1.7240 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 3.3100 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 2.9760 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 6.6000 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 7.0980 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 0.5250 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 -1.1950 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 6.9240 -4.7150 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6680 7.7950 -2.3300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 26 32 1 0 0 0 0 26 33 1 0 0 0 0 M CHG 1 34 -1 M CHG 1 35 -1 M END