CHEMDIV-ZINC04960439 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.2970 1.0470 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -0.4480 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -1.0640 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -2.4560 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -3.2550 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -2.6380 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -1.2460 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -4.7520 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -5.2330 0.2080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -6.5750 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -7.4330 0.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -6.9040 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 -6.0430 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -6.6810 0.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 -7.9710 0.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -8.1790 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -9.5390 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -9.6780 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -10.3200 1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -10.3900 -0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -9.7650 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7520 -8.8590 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0480 -8.5570 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1210 -9.3960 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9150 -10.5310 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6380 -10.8190 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 -9.9830 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 1.4250 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 1.3670 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 1.5010 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -0.4620 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.9100 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -3.2370 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -0.7880 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -5.2180 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -5.0870 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 -4.5410 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -4.9710 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -10.3360 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 -8.7030 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 -10.2510 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -10.0260 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -11.4130 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -11.4800 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -10.1400 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -10.3910 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -8.8220 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2410 -7.6750 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1170 -9.1580 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7500 -11.1810 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4850 -11.6880 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 -10.2090 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -9.8520 0.4970 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1340 -8.7950 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -10.0810 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 53 1 0 0 0 0 21 46 1 0 0 0 0 21 47 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 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 M CHG 1 53 1 M END