IBS-ZINC00531477 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 0.0010 1.4930 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -0.0370 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -0.5430 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.5610 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -2.3650 -0.1050 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 -2.6890 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 -1.7880 0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 -2.1940 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5100 -1.4140 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7390 -2.0000 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8650 -3.3820 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7330 -4.1710 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 -3.5820 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -4.2870 -0.1920 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.1350 -3.9730 0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3670 -5.0630 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4550 -5.5830 -1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7310 -5.6260 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9750 -6.7540 -1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2510 -7.2740 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2870 -6.6800 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0520 -5.5610 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7800 -5.0340 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.8670 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 1.8540 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.8490 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -0.3920 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -0.1700 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.1870 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -1.6330 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -0.2800 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -0.1300 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4310 -0.3400 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6240 -1.3870 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8280 -5.2430 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8470 -3.5980 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1670 -7.2190 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4410 -8.1480 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2840 -7.0900 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8650 -5.1010 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5970 -4.1630 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 14 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 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 M END