IBS-ZINC06427792 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.1020 1.7270 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 0.2310 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -0.5650 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -1.9580 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -2.5860 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -1.7790 -0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -0.3860 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -4.1020 -0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1830 -4.5480 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -4.6610 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -5.2410 -1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -5.2370 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -5.7010 -3.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -4.6190 -1.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -4.4920 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -3.3820 -2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 -1.9090 -2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -4.3680 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 -5.6390 -2.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -4.6760 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -4.1520 1.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -5.2610 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 -6.5170 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 -6.6110 -0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 -5.4420 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 -4.5570 -0.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 -3.2340 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9120 -2.7870 -1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0200 -3.6960 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -4.9640 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 -7.6800 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 2.1060 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 2.1790 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 2.0480 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -0.1040 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -2.5480 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -2.2200 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 0.2160 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -5.4560 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -4.3220 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -2.4220 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -3.5730 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -1.9210 -3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -1.0990 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5730 -1.8100 -2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -5.2680 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 -4.4830 -3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8910 -4.1450 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -4.2890 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -2.6040 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 -1.7700 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8670 -3.3190 -2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8260 -5.6430 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -8.0190 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 -8.5160 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 -7.4160 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -3.2150 -2.0080 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3710 -3.1560 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 20 2 0 0 0 0 11 12 1 0 0 0 0 11 19 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 57 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 57 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 57 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 31 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 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 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END