IBS-ZINC00487403 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.3170 1.0050 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -0.4280 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -0.5740 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -0.6460 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -0.7950 -2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 -0.8410 -2.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -0.8730 -3.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -0.8130 -3.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.6730 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -0.6460 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -0.7570 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -0.8900 -4.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -0.9080 -4.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -1.0890 -6.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -1.0300 -6.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -0.8220 -6.1120 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8390 0.0490 -5.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -0.4910 -7.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 0.3840 -7.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3530 0.6930 -9.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 0.1260 -10.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -0.7540 -9.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -1.0640 -8.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 -2.0900 -5.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -3.1820 -6.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 1.6840 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 1.3690 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 1.0660 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -0.7420 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -1.1070 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -0.5900 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 -0.5510 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -0.7520 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -2.1540 -6.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.5620 -6.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -0.6800 -6.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 0.8250 -6.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1790 1.3710 -9.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 0.3640 -11.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 -1.2080 -10.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -1.7690 -8.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -1.8790 -4.7580 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 M CHG 1 42 -1 M END