IBS-ZINC02112096 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 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 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.5700 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -4.0350 1.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -4.7070 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -6.1890 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -6.8500 -0.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -6.8340 1.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -8.2790 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -8.5010 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -7.6720 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 -7.8090 2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -8.6990 2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7870 -8.5330 3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9150 -7.5340 4.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 -6.6390 4.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 -6.7840 3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -6.0910 3.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -5.3330 4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -6.6280 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -6.1650 2.3780 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2170 -4.6780 2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -4.0160 3.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -6.5810 3.5320 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 1.7650 -0.1340 1.2340 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 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.4020 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.2190 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -2.4410 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -4.3330 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -4.4780 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -8.6500 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -8.8070 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -8.2000 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -9.5550 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5470 -9.4810 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6170 -9.2010 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8430 -7.4500 4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 -5.8640 5.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -6.2900 3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -6.0870 4.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -7.6610 3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 32 1 0 0 0 0 3 4 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 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END