IBS-ZINC02231356 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -1.3220 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -1.7990 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -1.4560 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3570 -1.7510 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 -1.0940 1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 -1.2060 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7670 -1.9240 1.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5210 -2.5260 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3480 -2.4490 -0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1060 -0.5800 3.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4330 -0.7060 4.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4690 0.0740 5.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8550 -0.0570 5.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8880 0.6710 7.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1450 0.6130 7.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1570 -0.5850 8.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3540 1.9010 8.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -0.4580 1.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -0.6450 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -0.2190 1.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -2.6380 -2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -2.9810 -2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -1.8070 -2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3060 -3.1010 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4180 -0.0580 3.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1840 -0.3040 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6450 -1.7570 4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7180 -0.3270 6.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2570 1.1260 5.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6050 0.3440 5.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0670 -1.1090 6.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9460 0.5050 7.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1160 -0.6300 9.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0080 -1.5030 8.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3560 -0.4770 9.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3460 2.7540 8.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3130 1.8570 9.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5530 2.0090 9.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -3.5500 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -2.0680 -2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -3.9290 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -3.0020 -3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -1.0120 -3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -2.1520 -2.0300 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 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 24 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 23 2 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 22 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 M END