IBS-ZINC05249724 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.1920 1.5900 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 0.2240 0.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -0.5600 1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -0.0250 2.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -0.8220 3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -2.1520 3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -2.6930 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -1.8960 1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -4.0400 2.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -4.6510 3.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -3.9190 4.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -4.4730 5.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -5.8380 5.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 -6.5740 4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -5.9540 3.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 -7.9360 3.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -8.2620 2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 -9.7630 2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 -10.4880 2.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -10.1960 4.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -8.6990 4.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -6.4920 6.1070 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9940 -6.9300 7.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 -6.5900 5.8990 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8900 -3.7000 6.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 2.0740 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 2.1030 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 1.6350 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 1.0140 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.4030 4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -2.7730 4.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -2.3150 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -4.5460 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -7.9930 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -7.7050 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -10.0180 1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 -10.0230 3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -10.7650 4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -10.4680 4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -8.4620 5.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -8.4370 3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 -2.7480 6.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -4.1090 6.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 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 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END