IBS-ZINC02250123 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -2.5210 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -3.9860 -2.5320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -4.7760 -3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -6.1180 -2.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -6.1250 -2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -4.7610 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -4.4480 -1.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 -5.4160 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 -5.1030 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 -6.1030 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 -7.4410 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -7.7830 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 -6.7770 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -7.0890 -1.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -7.1250 -3.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -8.3040 -3.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -6.7450 -4.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -5.4300 -4.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -4.4890 -3.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -7.7590 -4.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -8.1280 -3.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6350 -7.2420 -3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 -9.2000 -4.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 -10.3880 -3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -9.6960 -1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -8.6900 -2.3550 O 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -2.1600 -3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -2.1440 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 -4.0710 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 -5.8570 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7390 -8.2160 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -8.8240 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -5.1520 -4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 -7.3620 -5.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -8.6470 -4.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 -8.8310 -4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -9.4950 -5.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -10.8420 -2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -11.1280 -3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -9.2300 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -10.4090 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END