IBS-ZINC02122112 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 0.1160 1.6310 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 0.1290 -0.0750 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2850 -0.3370 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -0.5090 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -0.4720 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 0.1990 1.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2060 1.2900 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -0.1770 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -0.2260 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -0.6890 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -0.0410 4.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -0.6970 5.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -0.1040 7.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -0.7570 7.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 1.2220 7.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 1.9270 6.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 1.3320 5.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 2.0940 4.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.4110 4.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 4.0180 5.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 3.2430 6.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 5.4110 6.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 5.7150 7.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 7.0420 7.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 8.0800 6.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 7.7970 5.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 6.4710 5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 4.0550 3.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 1.8390 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 2.0370 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 2.1860 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -1.6020 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -0.1920 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -0.1250 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -1.5650 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 0.0470 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 0.2510 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -1.3070 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -0.5820 3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -1.7660 3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -1.7170 5.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 1.6980 3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 3.6610 7.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 4.9200 8.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 7.2650 8.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 9.1120 7.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 8.6070 5.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 6.2690 4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 4.9060 4.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -0.1080 2.4250 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0840 0.9150 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 50 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END