SIAL-ZINC04533969 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 66 0 0 1 0 0 0 0 0999 V2000 1.3390 -0.1040 3.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -1.4900 2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -2.4820 3.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -1.5230 1.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -2.7650 0.7880 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6900 -3.4710 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -2.4960 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -1.6530 -0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 -2.2570 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -3.3890 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -3.0490 2.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -4.4500 0.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -4.9930 1.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6930 -4.3230 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -5.1380 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -3.7150 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 -3.0770 -1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 -6.3370 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -6.9850 1.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -6.7370 2.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -7.9550 3.5170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2720 -8.6510 3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -7.7050 4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -7.1980 5.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -5.6670 5.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -5.1960 4.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3860 -8.4990 3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3350 -7.7440 3.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5470 -9.8460 3.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -10.8600 3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 -12.1500 3.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6230 -11.9330 2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8870 -10.4330 3.0990 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.4690 -10.2380 4.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6880 -9.9740 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0250 -9.4030 0.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -0.1580 3.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 0.5300 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 0.3360 3.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -0.6570 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -1.9780 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -3.4160 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -4.8930 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -5.6610 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 -5.7000 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 -6.1950 2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -7.0160 5.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -8.6570 5.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 -7.5610 6.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -7.6360 4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -5.2290 4.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -5.2900 6.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -5.4660 5.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -5.5820 3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 -10.8560 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -10.6690 3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7360 -13.0340 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 -12.2660 4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6040 -12.2130 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3840 -12.5490 3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6010 -3.3340 -0.1560 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5170 -3.7270 4.6530 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3760 -3.3400 4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -3.2250 5.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -3.4030 3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9200 -10.2780 1.8800 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 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 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 61 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 62 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 35 66 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 62 65 1 0 0 0 0 M CHG 1 61 -1 M CHG 1 62 1 M CHG 1 66 -1 M END