IBS-ZINC02130501 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2090 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0300 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4130 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.5930 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 4.1870 1.7200 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 5.9270 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 6.5010 0.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 7.8510 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 8.9450 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 8.7660 -1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 10.1940 0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 10.9610 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 10.3820 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 9.3730 2.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 8.1080 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 6.8840 2.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 6.6450 3.8640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8400 7.5500 4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 6.1730 4.3210 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0640 5.7150 3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 5.1250 5.4170 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6200 4.1490 5.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 5.0890 5.4930 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3290 5.7530 6.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 5.5570 4.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 3.6600 5.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 3.6650 5.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 5.5370 6.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 7.2660 4.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 11.6630 1.8910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -0.8160 -0.0390 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -2.4150 -0.0220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9670 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 3.9720 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 3.9460 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 3.0350 4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 3.2630 6.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 2.7910 6.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 4.9160 7.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 7.0250 5.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 12.4180 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 11.8120 2.8490 H 0 0 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 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 30 43 1 0 0 0 0 31 44 1 0 0 0 0 32 45 1 0 0 0 0 33 46 1 0 0 0 0 33 47 1 0 0 0 0 M END