IBS-ZINC02137943 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 1.4080 -0.8770 -2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.6890 -2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -1.9000 -3.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -0.4690 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -0.1200 -0.8960 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7910 -0.8400 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -0.1780 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 0.9700 1.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 1.2300 -1.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 1.9230 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 1.5690 -2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 0.7510 -3.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 3.0830 -2.9140 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1450 3.5610 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 3.5500 -2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 5.0470 -2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9610 5.3600 -1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 5.9540 -1.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 3.4180 -4.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 3.8910 -4.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 4.0440 -3.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 4.2220 -6.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 4.7120 -6.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 5.0170 -7.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 4.8340 -8.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 4.3450 -8.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 4.0400 -7.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 3.5440 -6.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 3.4010 -7.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 3.2120 -5.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 2.7720 -4.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -1.0040 -3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -0.0030 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -1.7570 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 0.2010 -3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -2.8130 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -1.7660 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -2.0600 -4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -1.3730 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 0.3360 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 2.9440 -2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 3.3340 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 5.2780 -3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 6.4110 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7450 4.7480 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 5.1630 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 5.8450 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 7.0070 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 5.7270 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 4.8570 -5.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 5.3970 -8.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 5.0720 -9.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 4.2060 -9.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -1.3290 1.1430 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 54 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 M CHG 1 54 -1 M END