IFLAB-ZINC02456790 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.1400 1.1570 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -0.3480 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -0.9700 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -2.3500 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -3.1080 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -2.4850 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -1.1050 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -0.4260 -2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -4.6120 -0.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2960 -5.0250 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -5.1240 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -6.4950 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -6.8840 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -6.2270 2.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -4.7780 2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -4.4710 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -6.9340 2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 -8.1430 2.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 -6.2370 2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 -5.2720 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8160 -4.6230 3.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8180 -4.9280 2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 -5.8840 1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 -6.5430 1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 -7.5620 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 -8.1720 0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 1.5070 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 1.4760 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 1.5760 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -0.3780 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -2.8360 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -3.0770 -2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -0.2760 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -1.0510 -3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 0.5380 -2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -4.7110 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -6.2120 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -4.8130 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -6.8830 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -6.9140 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 -7.9660 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -6.5560 3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 -4.4670 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -4.2470 2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 -4.9180 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -3.3920 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -5.0290 4.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9880 -3.8740 4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7670 -4.4160 2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3970 -6.1170 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -5.0310 0.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1150 -7.8150 -0.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9200 -8.4900 -0.9830 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 51 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 51 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 52 53 1 0 0 0 0 M END