IBS-ZINC02380353 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 -0.3680 2.0170 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 0.8980 -0.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8300 1.3760 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -0.0420 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -1.4470 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -1.2920 -1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 -1.1180 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 -2.0890 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -1.9960 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -2.3970 -0.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -1.8510 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -0.9590 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 0.3020 -1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 1.0650 -2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 0.5910 -3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 -0.6630 -3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -1.4330 -1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -3.7440 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -4.1670 -1.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -4.7360 -0.5930 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6190 -4.2230 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -5.1780 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -6.1770 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -7.3920 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -6.9970 -1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -5.9630 -1.5300 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5580 -6.4720 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -5.5300 -3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -4.4860 -3.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 2.4970 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 2.7970 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 1.6240 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 0.5220 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -0.1700 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -2.1800 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -0.4560 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -1.3360 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 -0.0900 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.1060 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7490 -1.8450 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -1.3180 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -2.9640 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -2.6310 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -1.3120 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 2.0420 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 1.1930 -4.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -1.0550 -3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -2.4280 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -4.3170 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -5.6400 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -5.6910 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -6.5030 2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -8.0630 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -7.9550 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -6.6220 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -7.9010 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -6.2920 -3.7390 O 0 5 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 13 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 M CHG 1 57 -1 M END