OTAVA-ZINC06143916 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.0850 0.8220 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 1.3090 2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 3.0940 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 3.4280 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 4.8540 -0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 5.7790 -0.8750 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0080 5.6350 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 7.2070 -0.5450 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7670 6.9230 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 5.4680 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 4.9750 1.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 7.7410 0.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 7.9990 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 7.4360 0.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 9.4830 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 10.1440 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 11.5370 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 12.2920 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 11.6340 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 10.2350 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 13.6430 -0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 14.4590 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 5.4840 -2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 5.5180 -3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 5.2670 -4.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 4.9850 -5.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 4.9560 -4.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 5.2070 -2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 4.6410 -6.9810 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.2320 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 1.2100 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 0.9370 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 1.6730 3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 0.2300 3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 1.8210 3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 3.4560 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 3.5520 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 3.1030 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 2.9050 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 7.7390 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 9.5890 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 12.0400 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 12.1800 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 9.7730 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 14.2250 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 14.3670 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 15.5000 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 5.7420 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 5.2970 -5.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 4.7420 -4.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 5.1800 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 1.5970 1.5740 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6570 1.2480 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END