IBS-ZINC04879817 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -0.6890 -1.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 -0.4520 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -0.6590 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 -1.0500 -1.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 -0.4040 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 -0.7710 0.9440 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 -0.3970 2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4860 -0.4980 2.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8380 -0.1750 4.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1180 -0.2000 4.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2840 0.1690 6.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1980 0.5720 6.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9390 0.6040 6.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 0.2330 4.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 0.1740 3.9040 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.7400 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -1.1900 -3.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -1.4220 -4.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -1.2080 -4.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -0.7620 -3.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -0.5320 -2.4950 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 2.2640 -0.1390 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 0.6410 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 -1.0440 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9730 -0.5120 4.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 0.1440 6.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3390 0.8600 7.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 0.9180 6.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 -1.3560 -3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -1.7700 -5.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 -1.3910 -5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -0.5970 -3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -0.1880 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 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 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END