IBS-ZINC05216215 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.5270 0.6210 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -0.6240 -0.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -0.8490 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 0.1080 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -0.1240 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -1.3090 2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -2.2640 2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -2.0340 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -3.0740 0.6570 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6480 -2.7360 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -3.2940 1.6190 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0400 -2.3860 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -3.6360 3.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -3.8480 3.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -4.9950 3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -4.6540 2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -4.4490 1.1110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4710 -5.7310 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -5.5360 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -4.3410 0.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -4.4080 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -3.4100 1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -5.6960 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -6.5960 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -7.7950 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 -8.1080 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 -7.2220 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -6.0140 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -4.8990 2.6080 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -4.1390 -0.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 0.6980 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.6730 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 1.4420 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 1.0330 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 0.6210 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -1.4880 3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -3.1890 2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -4.5480 2.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -2.8170 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -4.0940 4.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -2.9360 4.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -5.9090 3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -5.1440 4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -5.4710 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -3.7400 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -5.9530 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -6.5570 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -6.4090 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -5.4000 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -6.3540 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -8.4930 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 -9.0490 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0410 -7.4720 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 -4.8290 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 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 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 30 54 1 0 0 0 0 M END