IBS-ZINC05244807 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 0.0310 1.1230 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.2590 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -0.6480 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 0.2320 -1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -0.2370 -2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 -1.5900 -3.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -2.4950 -2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -2.0210 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -2.9840 -0.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -2.9290 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -3.9580 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -6.0150 -3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -6.4760 -3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -7.9630 -3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -8.8470 -2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -10.2260 -2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -10.7210 -3.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -9.8600 -4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -8.4810 -4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -12.5120 -3.9400 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -12.6200 -5.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -12.9670 -2.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -12.9890 -3.8510 N 0 5 0 0 0 0 0 0 0 0 0 0 -3.3420 -12.5630 -4.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 1.4770 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 1.7210 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 1.2440 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 1.2990 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 0.4610 -3.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 -1.9250 -3.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -3.9530 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -2.5350 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -2.3530 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -4.1270 -3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -4.5180 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -6.4840 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -6.2200 -3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -6.2140 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -5.9510 -3.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -8.4700 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -10.9080 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -10.2550 -5.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -7.8170 -5.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -4.5380 -2.8170 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1400 -4.2930 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -4.0480 -3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 44 1 M END