IBS-ZINC05024769 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 0.2640 1.9140 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 0.3980 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -0.3240 1.2970 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8380 0.0310 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -1.8440 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -2.6060 2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -4.0930 1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -4.5960 0.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -4.7600 2.9630 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -6.1350 3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -7.0210 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 -8.3590 2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -8.8240 3.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -7.9450 4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 -6.6230 4.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -9.2840 1.0180 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4420 -8.8380 -0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 -10.4590 1.2140 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0140 -0.0610 2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -0.1380 2.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 2.2480 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 2.3860 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 2.2750 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 0.1000 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 0.1040 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -2.2330 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -2.0460 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -2.1990 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -2.5010 3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -4.1980 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -6.6810 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -9.8560 3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 -8.2890 5.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -5.8190 5.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 0.1800 3.6040 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1040 -5.4380 5.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 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 31 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 34 36 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 35 -1 M END