IFLAB-ZINC02722385 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -1.7990 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -2.9260 -0.2980 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -2.2330 -2.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -3.6700 -2.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -4.1840 -3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -5.6620 -3.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -6.6550 -3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -7.8660 -3.5740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -8.7280 -3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -7.6770 -4.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -6.2880 -4.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -5.7960 -6.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -6.6670 -7.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -8.0380 -6.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -8.5450 -5.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -6.1350 -8.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -6.4640 -1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -1.2690 -3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -0.9250 -3.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 0.2480 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 0.5640 -2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 -0.2930 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7520 -1.4660 -3.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 -1.7880 -3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 -2.9450 -4.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 -3.7860 -4.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 0.1620 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 -3.8500 -3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -4.1950 -1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -4.0050 -3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -3.6590 -4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -4.7310 -6.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -8.7130 -7.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -9.6130 -5.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -5.9970 -8.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -6.8450 -9.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 -5.1800 -8.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -6.4260 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -7.2960 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -5.5300 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -1.7040 -4.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -0.3640 -3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 0.9180 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 1.4810 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 -0.0440 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5580 -2.1350 -3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 -3.2410 -5.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 -4.0840 -3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 -4.6730 -4.9670 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 33 1 0 0 0 0 2 34 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 6 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 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 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 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 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 M END