IBS-ZINC02227590 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 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 1.4440 -2.5130 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -2.8200 -2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 -3.2550 -3.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 -2.6860 -1.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -3.0150 -1.2340 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3590 -2.7450 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 -4.5160 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5430 -2.2490 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -1.7020 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 -0.9990 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 -0.8430 1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 -1.3900 2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -2.0890 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -2.6500 -3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -3.0440 -4.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -2.3480 -3.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -2.4910 -5.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6690 -2.2360 -5.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -3.9360 -5.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -1.5660 -5.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 -0.8800 -6.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -0.0320 -6.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 0.1300 -4.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 -0.5560 -3.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 -1.4080 -3.8450 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 0.5290 -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 4.3410 -3.4460 -3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -2.3730 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 -4.7870 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -5.0710 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -4.7620 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 -1.8240 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 -0.5720 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2090 -0.2950 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 -1.2680 3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -2.5120 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -2.0350 -2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -4.0430 -6.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -4.6050 -5.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 -4.1910 -4.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -1.0070 -7.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 0.5040 -7.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 0.7930 -4.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 -0.4290 -2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -1.9470 -2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 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 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 M END