IFLAB-ZINC05250767 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 0 0 0 0 0 0999 V2000 0.8350 1.4810 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 0.7910 2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 3.1120 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 3.3340 1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 4.7370 1.9040 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 5.5630 2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 5.2470 3.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 6.9900 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 7.2740 1.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 7.7660 3.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 9.1190 4.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 9.8880 3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 11.2280 3.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 11.7990 4.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 11.0440 5.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 9.7060 5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 13.2010 4.9520 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5210 13.8370 4.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 13.6700 6.0290 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 0.4180 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 1.8570 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 2.0460 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 1.1860 3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -0.2340 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 0.8160 2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 3.6500 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 3.4600 2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 2.8770 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 2.8890 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 5.1540 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 7.2890 4.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 9.4740 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 11.8010 2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 11.4720 6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 9.1290 6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.6440 1.4670 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1900 1.2830 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 36 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 36 1 M END