IBS-ZINC02270594 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -2.5000 -2.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -2.7570 -2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 -2.6740 -1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 -2.3040 -0.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 -3.0080 -2.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 -2.9520 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 -3.4180 -3.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -3.7120 -3.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2540 -3.5120 -4.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -3.1830 -3.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -3.1750 -4.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -2.7770 -3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -2.6250 -4.0460 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -3.1520 -5.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -3.1010 -6.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -3.5170 -7.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -3.9640 -5.7040 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 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -2.4880 -6.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -4.1720 -5.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -3.7660 -5.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -2.0810 -6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 -3.5090 -8.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 -4.1760 -5.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -4.8680 -5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -3.1840 -6.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 14 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END