IBS-ZINC05529729 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 0.0870 1.1670 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -0.1650 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -0.7670 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 0.0190 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 1.3530 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 1.9370 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 1.8180 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 0.7850 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -0.3020 -0.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -1.2230 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0030 0.9730 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 2.1950 0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 3.1380 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 3.0400 0.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8980 0.0470 -0.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2940 0.1350 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8540 -1.2550 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1470 -2.3090 -1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 -0.9170 -1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2690 -3.5760 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6580 -4.1300 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1170 -3.0250 -3.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4990 -3.4020 -3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 1.6140 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -0.7470 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -1.8060 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 2.9750 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 4.0930 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8930 0.5930 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4110 0.7570 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9330 -1.1980 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3620 -1.6800 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6330 -2.7350 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0460 -2.9840 -2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 -0.9950 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0690 -0.5660 -2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5900 -4.2240 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1770 -3.3980 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4540 -4.8750 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7990 -4.5790 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 -2.2230 -1.1680 N 0 3 0 0 0 0 0 0 0 0 0 0 9.1320 -1.8760 -2.0080 H 0 0 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 41 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 41 1 M END