IBS-ZINC05025880 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 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 0 0 0 0 0 0 0 0 0 0 -4.6160 4.0000 -8.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 4.8060 -9.6240 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 4.3480 -10.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 5.4170 -11.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 6.4990 -10.8860 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 6.1420 -9.6550 C 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 2.1540 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 -2.7000 4.3630 -7.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 2.9000 -8.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 3.1440 -8.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1600 4.6080 -7.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 3.3250 -11.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 5.4050 -12.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 6.8040 -8.8030 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 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 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 8 9 1 0 0 0 0 8 26 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 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 M END