IBS-ZINC05215224 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.2390 1.3270 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 2.6060 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 2.5980 3.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 2.3990 3.8930 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 1.2380 3.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 1.2490 1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 3.1310 4.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 4.4970 5.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 5.0730 6.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 4.3310 7.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 3.0230 6.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 2.4150 5.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 2.2170 7.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 2.7310 8.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 1.5770 9.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 0.7040 10.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 0.6960 9.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 6.4150 6.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 5.3540 4.1040 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2710 5.2680 2.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 6.1250 4.4620 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8040 1.3600 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 2.1880 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 0.3900 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 3.4720 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 2.5910 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 1.7680 3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 3.5070 3.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 0.3200 3.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 1.2210 3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 0.3200 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 2.1060 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 1.2560 7.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 3.2380 9.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0210 3.4460 8.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 1.9620 10.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5430 0.9860 8.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 7.0750 6.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 6.7270 7.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 1.3630 1.3020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2680 0.5410 1.6270 H 0 0 0 0 0 0 0 0 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 1 40 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 2 40 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 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 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 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 40 1 M END