IBS-ZINC06691040 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.3050 1.5070 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 0.2160 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -0.5460 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 0.4430 1.5000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 1.8000 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -1.9070 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -2.8130 -0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 -2.3130 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -1.4920 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2440 -2.3560 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3880 -1.9540 -0.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 -3.6470 -0.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -3.7310 -0.2700 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1350 -4.3090 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -4.3720 -1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 -5.2500 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -5.8370 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 -5.5460 -3.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -4.6670 -3.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -4.0760 -2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -6.1750 -5.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3290 -6.9500 -4.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -5.9190 -6.1000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7900 -4.7850 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2060 -5.2810 0.8740 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6200 -4.4610 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2350 -6.4260 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8620 -7.3930 1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 -6.7180 2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -5.8690 1.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 -0.2760 -0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 2.2350 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -0.1630 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 2.7680 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -5.4770 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -6.5240 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -4.4400 -4.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -3.3870 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 -5.5890 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 -4.4750 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 -6.9230 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2480 -6.0460 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -8.3680 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6900 -7.4920 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -7.4690 2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 -6.1190 3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -3.7160 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 31 2 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 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END