IBS-ZINC04089764 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 -0.3870 1.4280 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.0150 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -0.0290 1.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 0.1360 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -0.0620 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -0.5740 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -0.9730 -2.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -0.6450 -1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 0.1520 0.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6320 0.1180 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 1.4830 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 1.7180 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4260 3.1180 -1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0960 3.9490 -2.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 5.3310 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 5.8890 -1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 5.0860 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 3.7050 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 2.6940 -0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 2.8410 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1380 0.6100 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 -0.5810 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 -2.2650 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 0.5600 2.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -0.8070 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 2.0130 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 1.4630 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 1.9320 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 3.5280 -3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 5.9770 -3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 6.9660 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 5.5260 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 0.3050 -3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 0.9360 -2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 -1.4510 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -0.3490 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 -2.5490 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -2.1110 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 -3.0330 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 0.5860 3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -0.8420 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -1.8430 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -0.3850 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 -0.9800 -0.7550 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2760 -1.1460 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 44 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 44 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 44 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END