IBS-ZINC05027020 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 0.0040 1.5820 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.0750 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.5980 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -1.9810 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -2.6940 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -2.0270 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.6380 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0410 -2.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 0.3570 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 0.0590 -2.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 1.0720 -4.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 1.4280 -4.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 0.9610 -4.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 2.1940 -5.9740 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 2.6660 -6.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 3.5070 -7.8120 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6180 4.3100 -7.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 4.0880 -8.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 4.0280 -9.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 3.4180 -10.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 2.6780 -8.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 1.3910 -4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 1.9800 -5.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 1.0130 -4.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 0.3680 -2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 0.0600 -2.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 1.9490 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.9290 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 1.9560 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.0440 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.5040 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -3.7740 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.5840 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 1.4080 -3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 1.2620 -4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -0.1250 -4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 2.4320 -6.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 1.8100 -6.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 3.2730 -5.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 3.4750 -8.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 5.1180 -8.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 3.3860 -10.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 5.0290 -10.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 2.7500 -10.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 4.2070 -10.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 1.2150 -4.5360 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 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 M END