SIAL-ZINC04513842 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.4320 1.0400 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -0.0770 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -0.6370 0.1580 S 0 3 0 0 0 0 0 0 0 0 0 0 -1.2190 -1.9600 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -0.6730 1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -2.0360 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -2.0660 4.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4210 -1.2290 4.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -3.3610 4.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -4.2680 4.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 1.0610 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 1.6470 -1.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9470 1.6510 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 3.0790 -1.4190 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8080 3.8160 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 3.1690 -2.8770 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5600 3.9510 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 1.7810 -3.4730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8100 1.8050 -3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 0.8950 -2.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 1.3590 -4.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 0.5660 -4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 0.3930 -5.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1040 1.0620 -6.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9390 1.6950 -5.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 2.4300 -6.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 2.5680 -7.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 1.9960 -8.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 1.2360 -7.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5980 0.6420 -8.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 3.4130 -2.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 3.2620 -0.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 1.3280 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 1.9020 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 0.6860 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 0.2980 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -0.9110 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 0.1100 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -0.5060 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -2.8190 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -2.2030 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 -2.7260 3.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 1.0620 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 1.6640 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0910 0.1430 -3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 3.1730 -8.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1610 0.0980 -7.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8320 0.7690 -8.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 4.2460 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 4.1450 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -3.5070 4.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -1.9610 4.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 -1.9140 5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -4.3560 5.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 52 1 0 0 0 0 9 10 2 0 0 0 0 9 51 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 42 52 1 0 0 0 0 51 54 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 3 1 M END