IBS-ZINC02136411 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0920 1.3200 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.0740 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -0.7280 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 0.0190 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 1.4060 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 2.0630 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 2.1600 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 3.3840 0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 1.4120 -0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 0.0200 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 -0.6410 -0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -0.6290 -0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 -1.6400 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0400 2.1350 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 2.3400 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9560 3.0100 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 3.1950 0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4820 3.3640 2.5550 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9080 3.1140 3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1080 3.1430 4.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9980 4.2160 4.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7690 4.0760 2.6670 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5340 3.4380 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8130 5.4970 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8270 6.2500 2.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 1.8260 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -0.6510 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.8130 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 3.1490 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 1.5720 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8990 3.1060 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 2.9550 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7010 1.3720 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2100 3.9290 4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 2.1620 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8360 3.3580 5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6270 2.1770 4.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 5.2010 4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0510 4.0730 4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8660 5.7570 1.3960 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 40 -1 M END