SIAL-ZINC04545847 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 1.5900 -0.8180 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.7050 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -1.8720 -2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -0.5720 -0.4750 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9180 0.2090 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -0.2000 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -1.0370 -1.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 1.1010 -1.9810 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 1.7170 -2.9590 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1110 0.9480 -3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 2.4140 -2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 1.4800 -1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 1.4370 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 0.5700 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6060 -0.2590 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6220 -0.2260 -1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 0.6380 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 2.8710 -3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 3.3250 -3.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.8060 0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -2.2140 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -1.5860 2.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -3.5520 1.7720 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8960 -3.5070 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -4.7190 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -5.9850 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -6.6690 2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -5.9820 3.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -0.7510 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -0.0070 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -1.7730 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.2140 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -2.8370 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -1.7840 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -1.8870 -2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 1.7410 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 3.1860 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 2.9550 -3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 2.0760 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 0.5390 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2670 -0.9350 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2930 -0.8770 -2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 0.6500 -3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -2.3560 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -4.4200 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -4.9580 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -5.7520 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -6.7220 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 3.2050 -4.8200 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9370 -7.8000 2.1150 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7570 -3.7680 3.2450 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4390 -3.2290 3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -3.5830 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -4.8180 3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 49 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 M CHG 1 49 -1 M CHG 1 50 -1 M CHG 1 51 1 M END