IFLAB-ZINC04123431 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 0.7150 1.2980 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 0.9220 2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 1.2930 3.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 2.7430 3.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 3.5710 2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 3.1920 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 3.3070 4.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 2.5070 5.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 3.0430 6.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 4.3980 7.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 5.1700 5.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 4.6400 4.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 6.5400 6.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 7.2350 4.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 4.9820 8.3150 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5320 4.7560 9.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 5.6340 8.3300 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7610 2.1450 7.9770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 0.2240 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 1.5440 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 1.8500 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 1.1720 3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -0.1440 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 0.9200 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 0.7630 4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 3.4250 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 4.6430 2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 3.6960 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 3.4430 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 8.3000 5.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 7.1150 4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 6.9160 4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 1.1650 7.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 2.4250 8.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 1.6930 1.1870 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3100 1.4510 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 35 1 M END