IBS-ZINC04981083 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7590 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.4540 0.6680 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0010 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7120 -1.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -2.9680 -2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.2650 2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 0.9320 2.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -1.2250 3.6340 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4750 -1.4470 4.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.9770 5.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -1.0060 6.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -0.5180 5.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -0.6160 4.8500 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0400 0.3760 4.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -1.5080 5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 -1.2120 4.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -2.0610 5.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 -3.1680 6.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -3.4180 6.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -2.6360 6.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 0.0130 7.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 1.5210 7.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 2.0760 8.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 4.2310 7.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 4.0520 10.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -1.9130 3.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -3.2150 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -2.5120 -2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -3.8770 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -0.3400 4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1410 -1.8610 5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -3.8340 6.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -2.8760 6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -0.1780 7.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4750 7.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 1.7110 7.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 2.0080 6.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 1.8850 8.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 1.5880 9.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 4.0480 8.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 3.8680 6.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 5.3000 7.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 3.5590 10.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 3.8630 10.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 5.1250 10.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -2.1720 3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 3.5230 8.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 28 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 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 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 52 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 52 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 52 1 0 0 0 0 M END