IFLAB-ZINC04087187 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 1.3340 0.7520 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 0.0430 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -1.2100 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -0.6190 -2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -0.5060 -3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.1800 -3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -1.4940 -2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 -2.2400 -2.1640 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -2.1070 -3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -1.5610 -4.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -1.3430 -5.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -0.3470 -6.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -2.3540 -6.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 -2.4530 -4.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 -3.0640 -4.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -3.5280 -2.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0310 -3.1860 -5.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2790 -1.9010 -5.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9330 -1.8740 -7.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0630 -0.7060 -8.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5480 0.4500 -7.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9230 0.4540 -6.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7990 -0.7300 -5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 -0.6700 -3.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6950 0.5080 -3.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8040 1.6570 -4.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4210 1.6290 -5.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -1.2430 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 0.0880 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 1.6220 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 1.1080 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 0.7430 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -1.9180 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -0.9410 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -1.7260 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 0.0720 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -1.6410 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -0.9430 -4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 0.5530 -3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 -3.2320 -6.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 -2.2300 -7.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 -2.2090 -5.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9650 -3.5040 -4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 -3.9970 -5.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5560 -2.7660 -7.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7890 -0.6930 -9.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6410 1.3530 -8.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1470 -1.5460 -3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9920 0.5220 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1920 2.5740 -3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5210 2.5400 -6.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -2.1760 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -0.8030 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -0.2540 -0.9170 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7350 0.6350 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 54 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 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 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END