IBS-ZINC05243664 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.0310 1.4670 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -0.0180 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -0.7000 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -2.0700 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -2.7620 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -2.0840 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -0.7020 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -0.0400 -2.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -0.5350 -3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 0.2030 -4.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -1.9970 -3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -2.7910 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -4.1730 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -4.7580 -3.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -3.9780 -4.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -2.6030 -4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.0250 2.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -0.8010 3.5720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5500 -1.7510 3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -1.0630 4.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.0490 4.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 1.0450 4.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -0.5910 5.8150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 0.1400 6.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -0.6920 8.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 0.0720 9.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -0.7050 10.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 2.0000 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 1.7370 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 1.7380 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -2.5940 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -3.8260 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -4.7880 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -5.8340 -3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -4.4530 -5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -2.0020 -5.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -0.1130 4.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -1.6560 5.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -1.6070 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -1.4660 6.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 1.0900 7.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 0.3260 6.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -1.6420 7.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -0.8780 8.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 1.0220 9.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 0.2590 8.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -0.2810 11.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 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 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 M END