IBS-ZINC02226453 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 0 0 0 0 0 0999 V2000 -0.0770 1.4290 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 0.0330 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -0.5110 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 0.2200 -0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 1.5430 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 2.2110 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 3.5880 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 3.6610 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 2.4170 -0.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 4.8770 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 5.9860 -0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 5.8320 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 4.6890 0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 4.9320 -0.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 6.1910 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0410 5.9190 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8360 7.2150 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1100 8.0940 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5920 7.7300 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0930 7.3680 -0.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4100 6.2270 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9190 6.5150 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -2.0070 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -2.8100 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -2.2870 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -0.8350 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 1.8940 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 6.7510 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3270 4.0500 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 6.8040 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 6.7450 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 5.2550 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2710 5.3820 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6590 7.8730 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 7.7490 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7100 8.3090 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9370 8.9420 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1680 8.5920 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7670 6.9060 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8550 5.9940 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5780 5.3660 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 7.3540 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3920 5.6250 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -2.2620 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -2.2880 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -3.8690 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -2.7390 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -2.3610 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -2.9030 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -0.8060 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -0.4250 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3230 6.9160 -0.0760 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4520 6.1270 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 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 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END