IFLAB-ZINC05257845 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 0 0 1 0 0 0 0 0999 V2000 0.5300 2.0320 -3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 0.5280 -3.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -0.0950 -2.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -1.4620 -1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -2.0200 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -3.4110 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -4.2650 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -3.7010 -2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -2.3100 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -5.6760 -1.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -6.4520 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -6.0680 0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -7.9420 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -8.7730 0.4290 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8420 -8.6060 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -10.2450 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -10.6390 0.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -8.7680 2.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -8.7870 4.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -9.2950 5.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 2.3310 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 2.3520 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 2.5590 -4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 0.2350 -3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 0.2560 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -1.3680 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -3.7880 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -4.3330 -3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -1.9280 -4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -6.1630 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -8.1410 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -8.2220 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -9.7580 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -8.0290 3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -9.4350 4.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -7.7800 4.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -8.6250 5.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -10.3060 5.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -10.8190 -0.7760 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8760 -8.3990 1.7710 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7220 -9.0150 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -7.3910 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -9.3670 6.5720 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6470 -9.7270 7.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -8.4430 6.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -9.9940 6.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 43 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 M CHG 1 39 -1 M CHG 1 40 1 M CHG 1 43 1 M END