IBS-ZINC02126320 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -0.7700 1.5610 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 0.2310 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 0.2130 1.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -0.4370 2.2250 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4900 0.3230 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -1.0220 3.3250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4250 -1.3480 4.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -2.1690 2.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -3.2240 2.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3490 -3.6170 3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.8140 1.2610 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7370 -3.5790 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -1.4630 1.4760 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5870 -1.6420 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -0.8270 0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -2.8590 0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -3.8760 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -4.2650 1.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 -3.3270 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -5.0990 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 0.0150 3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -0.3900 5.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 0.5570 5.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 0.1540 7.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 -0.3510 7.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 0.0620 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 2.4090 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 1.6110 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 1.6880 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -2.4250 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -4.0570 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -3.0460 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -4.8500 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -5.9070 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -5.4900 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 0.0990 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 0.9920 3.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 0.5920 4.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 1.5540 5.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 0.8970 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -0.8460 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.0130 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 0.4250 7.9360 O 0 5 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 15 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 1 43 -1 M END