SIAL-ZINC04534066 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 0.3640 1.5880 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 0.0860 -0.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6450 -0.2940 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.6540 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -1.1640 1.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -0.6930 1.2080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -1.3150 2.3320 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2510 -1.0450 3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -2.8280 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -0.7170 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 -0.2510 1.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 -0.7670 3.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1140 -0.1450 3.8130 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6690 -0.1010 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 1.2560 4.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.2510 3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 2.6390 3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 3.5490 3.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 4.0810 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 3.7040 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 2.7920 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 -1.0520 4.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 -1.7610 5.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 -0.9210 4.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2040 -1.5870 5.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8970 -2.5150 6.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9130 -3.1380 7.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2480 -2.8270 6.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5730 -1.9000 5.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5490 -1.2850 5.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3140 -3.4770 7.7180 N 0 3 0 0 0 0 0 0 0 0 0 0 11.9840 -4.2860 8.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4840 -3.1800 7.4390 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4280 1.8430 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 2.1220 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 1.9690 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -0.2730 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 -3.2790 3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -3.2690 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -3.1130 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.2510 4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 1.1820 5.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9680 1.6630 4.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 2.2340 4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 3.8470 3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 4.7930 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 4.1210 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 2.5070 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6020 -0.2820 4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8720 -2.7810 6.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6410 -3.8570 8.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6060 -1.6450 5.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8190 -0.5670 4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -0.1900 -0.2570 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4590 -1.1760 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 0.4010 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -0.0590 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 54 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 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 54 57 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M CHG 1 54 1 M END