IBS-ZINC03068352 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 1 0 0 0 0 0999 V2000 -0.5950 2.2110 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 0.7910 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 0.2980 1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -1.0380 1.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.6730 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -2.9720 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 -3.7370 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 -3.2090 4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 -1.9040 4.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -1.1400 3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -4.0540 5.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 -4.9130 4.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 -3.8260 6.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -4.5090 7.7820 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5480 -5.5520 7.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -3.7910 8.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8450 -3.8840 7.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9900 -3.0010 7.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3460 -5.3200 7.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 -4.4620 9.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 -3.5530 8.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 2.9050 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 2.5380 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 2.2790 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 0.1190 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 0.7370 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 0.9460 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 0.3120 2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -3.3940 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -4.7460 2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -1.4540 5.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -0.1320 4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 -3.1730 6.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4180 -2.7300 8.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9700 -4.1840 9.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -3.4990 6.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8380 -3.0280 7.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6670 -1.9580 7.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3440 -3.3310 8.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5860 -5.9630 6.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2260 -5.3500 6.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6280 -5.7560 8.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -5.3250 9.9210 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 M CHG 1 43 -1 M END