IBS-ZINC05453458 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.0340 1.5340 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 0.0040 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -0.5300 1.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7260 -0.0780 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.1780 2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -2.0270 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -2.8270 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -4.2000 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -4.7780 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -3.9840 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -2.6040 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 -1.7960 1.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -2.2940 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 -3.4630 1.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 -1.4010 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1030 -2.3560 2.0030 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3400 -1.1020 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1390 0.1460 1.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0600 -2.1100 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3020 0.8400 1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2860 -0.0640 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 -1.2830 2.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 0.3790 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8690 1.7120 2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8530 2.5500 1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6240 2.1090 1.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4800 2.3230 2.2670 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 1.9160 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 1.9140 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 1.8600 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -0.3780 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.3220 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.5590 3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 0.9040 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -0.6300 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -2.3780 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -4.8230 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -5.8510 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 -4.4360 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -0.8770 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 -1.0000 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4890 -0.5800 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3620 -0.2950 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0750 3.5870 1.4250 H 0 0 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 26 2 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 M END