IBS-ZINC05248662 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.1060 1.5770 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 0.0740 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -0.6200 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -2.0690 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -2.7550 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -2.0600 0.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -0.6730 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -0.2600 -0.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -1.3910 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -2.5180 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 -3.8880 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -4.5030 -1.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 -4.4880 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -3.8350 2.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 -4.7860 3.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 -4.5200 4.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 -5.9470 2.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -5.9120 1.2710 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6320 -6.0770 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -6.9600 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -7.9630 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -8.9400 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -8.9290 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -7.9440 1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -6.9670 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -7.0890 3.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5500 -6.9500 2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8060 -7.6700 3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 -9.4060 3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -2.7380 2.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 -1.2940 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 1.9790 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 1.9080 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 2.0150 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -0.1110 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -2.5620 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -3.8340 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 -7.9990 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -9.7110 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -9.6890 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -7.9370 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -6.2160 2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -8.0060 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 -7.1320 4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 -5.9750 3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8140 -7.0350 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1730 -7.6890 2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9300 -6.6790 4.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3190 -8.4160 4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0550 -9.6610 3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3660 -9.4540 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7330 -10.0790 3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -5.4680 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 -1.8860 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 -1.6640 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -0.2570 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3350 -8.0000 3.7140 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.0360 -7.9670 4.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 30 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 57 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 57 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 57 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END