IBS-ZINC05513112 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 0.0160 1.3540 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -0.0350 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -0.8010 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -0.2010 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.1880 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 1.9610 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 3.4250 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 4.0430 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 5.3860 -0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 6.1620 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 7.5540 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 8.3540 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 7.7840 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0050 6.3910 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 5.5930 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 8.6500 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9810 9.9040 -0.0320 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9180 -2.1540 0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -2.5600 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 1.9430 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -0.5190 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 -0.7910 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 1.6590 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 3.9730 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 5.8770 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 8.0360 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 9.4350 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9790 5.9220 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 4.5160 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2670 8.0610 0.2390 O 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 2 0 0 0 0 18 19 1 0 0 0 0 M CHG 1 17 -1 M END