IFLAB-ZINC05258839 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 -0.9320 0.1550 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 0.3670 2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 2.4280 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 3.0620 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 4.5820 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 6.6280 -1.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1730 7.1250 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 7.2980 -2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 7.0390 -3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 5.9760 -3.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 8.0460 -4.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 8.0880 -5.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 7.0920 -5.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 7.2340 -6.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 8.3770 -7.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 9.3660 -7.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 9.1970 -6.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 6.6480 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 5.5080 -0.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -0.9030 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 0.3230 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 0.4830 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 0.4820 2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -0.6870 2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 0.9120 3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 2.5580 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 2.8640 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 2.7010 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 2.7710 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 4.9690 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 4.9210 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 6.9300 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 8.3770 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 8.8460 -4.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 6.1930 -4.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 6.4660 -6.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 8.5300 -8.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 10.0190 -6.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 0.9400 1.2180 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6560 0.8160 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 5.1640 -1.1920 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0230 5.0560 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 4.7200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 7.7060 0.3020 O 0 5 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 39 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 39 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 39 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 30 1 0 0 0 0 5 31 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 41 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 M CHG 1 39 1 M CHG 1 41 1 M CHG 1 44 -1 M END