IBS-ZINC04939486 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.4450 1.4140 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -0.0670 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -0.5000 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -1.9990 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -2.5560 0.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6070 -1.9060 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -2.4790 1.3900 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5450 -2.2700 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -4.6250 0.3490 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7640 -4.2660 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -4.1140 0.3380 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2990 -4.5230 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -4.6290 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -6.1380 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -6.8010 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -8.1900 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 -8.9430 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 -8.3060 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -6.9150 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8610 -1.9090 2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 -1.3530 2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9180 -0.8450 3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4670 -0.8890 4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2210 -1.4400 4.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 -1.9490 3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 -2.2710 -1.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 1.7010 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 1.6480 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 2.0250 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -0.6480 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2720 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 0.0920 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -0.2770 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -2.5480 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -2.1890 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -2.0210 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 -0.8270 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -4.2310 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -5.7210 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -4.3640 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 -6.2380 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2130 -8.6850 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 -10.0240 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -8.8960 2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 -6.4710 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5040 -1.3040 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8900 -0.4150 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0860 -0.4930 5.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 -1.4720 5.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4570 -2.3700 4.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 -1.3210 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 -3.9730 1.4870 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5580 -4.2420 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9330 -4.3310 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 52 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 52 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 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 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 52 1 M END