OTAVA-ZINC01980383 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.5210 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0090 -0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5150 -0.3680 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -0.5020 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -1.2050 2.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.1610 1.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -0.5370 2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 -1.7520 3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 -2.1200 4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -1.2800 4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2410 -0.0680 4.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 0.3030 3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -0.5130 0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -0.1910 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -0.6170 1.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -1.4040 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -1.7720 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -1.2890 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -1.5780 -1.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -2.6190 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 -2.8790 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 -2.1040 -0.0490 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -3.1460 -3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -4.5040 -3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -4.9920 -4.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -4.1320 -5.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -2.7800 -5.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -2.2850 -4.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -4.6160 -6.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -3.6760 -7.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.8960 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.8770 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.8790 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 0.3440 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -2.4090 2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -3.0650 4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 -1.5690 5.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 0.5860 4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 1.2470 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 0.4360 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 -3.4880 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -5.1740 -2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -6.0440 -4.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -2.1140 -5.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -1.2320 -3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -4.1920 -8.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -2.9110 -7.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -3.2090 -6.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 34 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 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 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 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 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 44 1 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END