IBS-ZINC04825524 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 41 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3920 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0030 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -0.7020 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -0.0080 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4600 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 2.1220 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 2.1440 -0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 1.4910 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9010 2.1850 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 1.5060 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 0.1170 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 -0.6550 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 0.0240 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 -0.6610 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 -2.1270 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 -2.7910 -0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 -2.7360 -0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -4.1280 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3730 -4.9240 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4550 -6.2990 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 -6.8840 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4810 -6.0960 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4080 -4.7200 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5910 -8.3590 0.2990 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7340 -9.0550 -0.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5180 -8.8760 0.8970 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9660 1.9060 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -0.5420 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -1.7810 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 3.2010 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 3.2650 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9990 2.0670 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1010 -0.3700 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0800 -2.2080 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -4.4670 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6950 -6.9180 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3020 -6.5560 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1720 -4.1050 1.1370 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END