IBS-ZINC01530483 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.1140 1.5730 -1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 0.3720 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -0.2600 0.3900 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5670 -0.1560 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -1.6730 0.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -2.2480 -1.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0600 -2.4600 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -0.9670 -1.8440 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -3.4360 -0.3150 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6780 -3.4590 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -2.7570 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -3.0550 2.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -4.7820 -0.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -5.3410 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -5.3020 -1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -4.7110 -2.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -6.6700 -1.8890 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6880 -6.6110 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -7.8180 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -8.8760 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -9.9530 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -9.9920 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -8.9570 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -7.8800 -1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 0.3050 1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 0.7850 2.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 0.7650 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 1.3030 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 2.0010 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 2.3660 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -8.8750 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -10.7640 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -10.8300 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -8.9890 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -7.0950 -2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 1.0990 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -0.0680 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 1.6010 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -6.8900 -3.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -6.0430 -3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -6.9460 -3.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 0.2600 2.5340 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 15 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 19 1 0 0 0 0 17 39 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 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 27 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 42 -1 M END