ASINEX-ZINC06679045 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -0.6800 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -0.4730 -0.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 -1.1380 -2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -1.3680 -3.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -1.8110 -4.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -1.9350 -4.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -1.5010 -2.6500 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -1.1360 -3.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -0.7070 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -0.5170 -2.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -1.3670 -4.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -2.7920 -4.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -3.5400 -3.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 -3.2340 -5.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -4.6190 -5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -4.8570 -6.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -5.3030 -8.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -5.5230 -9.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3480 -5.2970 -9.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -4.8500 -8.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -4.6350 -6.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2900 -4.6260 -7.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0180 -4.8730 -9.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -2.0410 -5.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 -2.2680 -4.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -0.6880 -4.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -1.1890 -5.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -2.6360 -6.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -5.2980 -5.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 -4.7970 -4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -5.4800 -8.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -5.8710 -10.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 -5.4680 -10.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -4.2910 -5.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6320 -4.2330 -9.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9010 -5.9180 -9.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0730 -4.6560 -9.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 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 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END