IBS-ZINC02270082 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.1140 1.3580 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.0100 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -0.5500 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 0.3030 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 1.6680 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 2.1950 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 2.5720 1.2310 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7590 2.1100 1.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 3.7780 1.0970 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1650 -2.0070 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -2.8020 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -4.2640 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -4.7590 0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -5.0570 0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -6.5090 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -7.1580 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -7.5820 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -8.1230 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -7.9970 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -7.4180 1.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -2.2330 -0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -2.5370 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -3.3850 -2.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -1.8470 -1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 -2.0660 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -1.2790 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 -0.4440 -1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -0.6090 -0.5440 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 1.7760 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -0.6610 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -0.1060 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 3.2650 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -2.4420 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -4.6660 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -6.8840 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -6.7460 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 -7.5200 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -8.5530 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 -8.3120 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -1.6200 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -2.7850 -3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 -1.3310 -3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 0.2410 -1.5110 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END