IFLAB-ZINC04568726 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 2.4580 0.8610 2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -0.4790 1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -0.8620 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 0.0820 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 1.4210 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 1.8160 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 3.2230 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 3.4930 2.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 4.2040 0.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 5.6380 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 6.2020 0.8300 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7380 5.6750 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 7.6940 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 8.6150 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 9.9860 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 10.4150 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 9.5360 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 8.1800 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 10.1590 -1.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 11.5340 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 11.7010 -0.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 6.4960 3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 5.8430 4.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 5.9000 3.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 5.2000 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 5.8120 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -2.2630 0.5740 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3140 -3.0600 1.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -2.5640 -0.5110 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9450 1.1560 3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 -1.2000 2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -0.2060 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 2.1290 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 3.9350 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 6.1240 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 5.8450 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 8.2800 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 10.6910 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 7.5210 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 12.1180 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 11.9200 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 6.4130 3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 7.5430 3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 6.3800 5.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 4.7990 4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7210 5.2700 2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 4.1390 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 6.8590 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 5.2380 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 5.7880 1.9480 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1090 4.7730 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 50 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 50 1 M END