IBS-ZINC05248531 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 -0.6830 1.2960 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.2100 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -0.7110 1.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -2.0430 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.8500 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -4.2030 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -4.7560 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -3.9580 2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -2.5980 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -1.7850 3.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -1.2010 3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -1.3700 2.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -0.3510 4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 0.2800 4.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 1.1780 5.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 1.7570 4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 2.7380 6.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 3.3340 5.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7300 2.9010 6.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7820 3.6900 6.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7000 3.5720 6.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3420 4.6730 5.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9570 4.4900 5.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2360 5.3490 4.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8810 6.3640 3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2480 6.5460 3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9770 5.7150 4.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 -0.2040 5.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 0.4810 6.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -0.8490 5.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -1.6030 4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -2.1540 4.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 1.7960 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 1.6780 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 1.4880 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -0.7100 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.4020 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -2.4210 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -4.8300 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -5.8140 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -4.3930 3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 0.0540 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0630 1.4400 5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7020 0.9620 4.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0160 2.2830 3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 3.5330 6.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 2.2120 6.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7990 2.0570 7.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 5.2130 4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 7.0280 2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7430 7.3530 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0410 5.8640 4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -0.7630 6.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 22 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 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 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 M END