IBS-ZINC01838354 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.3670 1.4220 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 0.0470 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -0.6790 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -0.0220 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 1.3520 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 2.0890 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 3.5550 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 4.2230 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 3.6670 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 2.4700 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 4.5640 -0.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 5.8410 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 5.9740 -0.2040 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 6.8760 -0.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 6.6230 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0470 7.5140 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 9.0910 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 8.2690 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 9.8180 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1640 11.2650 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9220 12.1730 1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5070 12.8740 2.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 -0.8020 1.5760 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6730 -0.2280 2.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -2.0180 1.5090 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2860 1.9850 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -0.4680 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 1.8610 1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 4.1010 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7640 6.8620 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 5.5750 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 7.4210 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 7.2040 1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 8.7560 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 10.1460 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 8.3090 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 8.6690 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 9.6840 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4750 9.5920 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 11.4910 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 11.3990 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 8.9120 0.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -2.0350 -0.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -2.3860 -0.9180 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 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 43 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 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 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 42 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 3 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END