IBS-ZINC05499537 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 -1.6480 2.2050 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.7270 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 0.3940 1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -0.0150 -0.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -1.2570 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -1.8180 -1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 -3.0860 -2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -3.8320 -2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -3.2590 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -1.9850 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -5.2010 -2.8330 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9060 -5.6090 -2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -6.2350 -2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -7.6490 -2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -10.0260 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -10.9370 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -12.1730 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -13.0200 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -12.6500 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -11.4300 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -10.5930 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -9.4110 -1.5550 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -5.0880 -4.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -5.3570 -5.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -5.2640 -6.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -4.8990 -7.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -4.6210 -6.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -4.7120 -4.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -4.8120 -8.3270 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 2.8470 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 2.4450 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 2.4510 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 0.5460 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 0.5800 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -0.6640 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 0.9910 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -1.2590 -1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 -3.4820 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -3.7860 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -1.5980 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -5.9650 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -6.2300 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -7.9750 -2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -7.7380 -3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -10.0580 -3.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -10.3160 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -12.4920 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -13.9780 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -13.3150 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -11.1300 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -5.6360 -5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -5.4690 -7.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -4.3290 -6.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -4.4750 -3.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -8.5970 -1.8140 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6160 -8.3120 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -8.5470 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 55 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 55 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 M CHG 1 55 1 M END