IBS-ZINC05347230 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.0660 1.3640 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 0.1040 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.5660 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 0.0300 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 1.3040 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 1.9600 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -0.6780 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 0.0160 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 -0.5160 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4510 -1.7090 -0.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 0.4000 -0.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8340 1.6970 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9100 3.0240 -0.4330 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 1.7770 -0.1680 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5650 -0.0010 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9090 -0.1350 -1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0660 0.0840 -2.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1540 -0.4970 -2.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4890 -0.6270 -3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9530 -1.0470 -3.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2980 -1.1800 -5.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7820 -0.0890 -6.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0990 -0.2090 -7.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9300 -1.4260 -8.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4430 -2.5190 -7.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1340 -2.3950 -5.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2400 -1.5460 -9.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 1.8860 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -0.3540 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -1.5490 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 1.7700 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 2.9440 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -1.7510 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2050 0.7540 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7190 -0.9580 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8280 -0.6720 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8490 -1.3820 -4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3350 0.3300 -4.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5930 -0.2920 -3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1070 -2.0030 -3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9130 0.8580 -5.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4770 0.6430 -7.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3100 -3.4670 -7.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7590 -3.2470 -5.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1550 -1.8100 -9.5240 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 14 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END