IBS-ZINC06645711 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 0.4370 1.0810 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -0.4130 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -0.7200 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -2.1380 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -2.6480 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 -1.8770 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 -2.4850 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 -3.8780 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 -4.6490 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -4.0480 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -4.7360 0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -6.1350 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 -4.5750 -0.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4800 -5.6620 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4260 -4.2180 -1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3600 -4.2390 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2530 -3.2040 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6730 -3.2590 2.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3240 -2.6160 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0850 -4.3190 3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2600 -4.9580 2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5360 -6.0950 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6610 -6.5420 3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4910 -5.8780 4.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 -4.7520 4.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 1.2700 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 1.5520 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 1.5630 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -0.8820 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -0.8710 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -0.2850 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -0.2980 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -0.7950 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 -1.8440 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -5.7280 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -6.4980 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -6.3540 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -6.6620 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3810 -4.7530 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6250 -3.1460 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6250 -2.4200 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8810 -6.6250 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1030 -7.4160 4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5730 -6.2380 5.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8650 -4.2360 5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 -4.6130 -2.7930 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.1950 -4.3640 -3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4920 -5.6250 -2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 -4.1340 -2.8480 H 0 0 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 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 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 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 M CHG 1 46 1 M END