IBS-ZINC02586868 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 0.0630 0.1080 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 0.4320 3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 2.2660 2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 2.8660 3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 4.3040 2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 4.8930 3.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 5.6280 5.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8050 4.8980 5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 6.0080 5.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 6.6240 6.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0050 6.9300 7.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 6.1140 8.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6530 6.4480 9.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 7.5200 8.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9410 8.2890 7.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 8.0440 7.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 6.9870 7.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 5.4970 4.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9470 5.5860 5.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 4.7800 3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 4.2040 2.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 6.7880 4.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 6.8870 5.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 7.8910 4.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 8.8170 3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 8.7480 3.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 7.7450 3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 9.8200 3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 9.9020 3.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 10.6040 2.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 11.5970 1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.9670 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 0.5160 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 0.3030 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 0.8820 3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -0.6570 3.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 0.8130 4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 2.3880 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 2.7260 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 2.2720 3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 2.8510 4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 4.9200 2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 4.3150 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 5.2370 8.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0510 5.8430 10.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5670 9.1400 7.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4470 8.7040 6.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 7.4700 8.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 6.1750 5.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 7.9390 5.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 9.4600 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 7.7030 3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 12.1640 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 12.2860 2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 11.1230 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 0.7800 2.3520 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3940 0.3750 2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 56 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 56 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 56 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 46 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 2 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 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 28 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 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END