IBS-ZINC06660828 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.2700 0.5620 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -0.5430 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -0.9110 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -0.1690 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 0.9310 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 1.2960 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 -0.6040 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 0.2390 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 -0.2180 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3490 0.5430 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7080 -0.0440 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9370 -1.2370 0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6480 0.9450 -0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1960 2.2360 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8580 3.2540 -0.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4410 2.2520 -0.1940 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0640 0.6250 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4230 0.2350 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6440 0.4720 -2.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6600 -0.3870 -1.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5860 -0.6960 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0060 -0.9960 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0550 -2.0810 -2.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8120 -2.1070 -3.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0860 -0.7590 -3.2700 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1800 -0.8890 -3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9160 0.3260 -4.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0040 1.4590 -3.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 0.8460 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -1.1200 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -1.7750 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 1.5100 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 2.1510 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 -1.6780 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 1.3080 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 -1.2950 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6630 1.4960 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2730 -0.2100 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6040 0.1390 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1750 -1.5650 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4540 -0.0780 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6280 -1.2900 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9510 -1.9300 -2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1720 -3.0650 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0870 -2.4500 -4.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1190 -2.8620 -2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4180 -0.0580 -5.1300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 16 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 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 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 25 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 47 -1 M END