IBS-ZINC05026338 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.6870 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.0210 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4260 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 2.0960 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 1.8410 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 0.8070 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -0.3420 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 -1.6490 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 -1.8490 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 -3.2230 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4270 -3.4420 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9180 -4.7310 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0490 -5.8090 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 -5.6050 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 -4.3170 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3800 -4.9620 -0.1100 N 0 3 0 0 0 0 0 0 0 0 0 0 10.1460 -4.0160 -0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8160 -6.1000 -0.1190 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -1.7660 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 3.1760 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5390 0.8540 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 -1.0080 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1080 -2.6040 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 -6.8150 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -6.4510 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 -4.1160 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -4.0550 -0.9220 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 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 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END