IBS-ZINC04037891 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0980 1.0360 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 1.3350 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 1.2810 -2.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 1.7360 -1.1620 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4000 3.1890 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 3.8220 -1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 5.0010 -1.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 2.8370 -2.9150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 1.5310 -2.5020 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2730 1.2080 -3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 0.4430 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 -0.8990 -2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 -1.9290 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 -1.6310 -1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2180 -0.3050 -1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3050 0.7270 -1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 3.0550 -4.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7340 4.2960 -4.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3860 4.5130 -5.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 3.4930 -6.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 2.2510 -6.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 2.0370 -5.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 3.7230 -7.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6010 4.9030 -8.1990 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9370 3.8170 0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 0.2440 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 0.6930 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 1.9370 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -1.1530 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -2.9630 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5610 -2.4320 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 -0.0710 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6220 1.7510 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 5.1370 -3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 5.4910 -5.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 1.4380 -7.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 1.0520 -4.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 1.1890 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3390 2.7130 -8.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 25 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 39 2 0 0 0 0 M CHG 1 24 -1 M END