IFLAB-ZINC02711573 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 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 1.2100 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4120 -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 3.8690 2.3020 -0.0220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -0.7050 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 -0.9900 -1.7490 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 -1.8390 -1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2060 -2.0960 -0.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 -2.8110 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7220 -2.9420 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 -2.2880 -2.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -2.1200 -4.1160 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9470 -3.1520 -4.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 -1.9580 -4.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9470 -0.5990 -4.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -0.5740 -5.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8170 0.6190 -5.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0810 1.7880 -5.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 1.7630 -4.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2090 0.5690 -4.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 3.0660 -5.8800 N 0 3 0 0 0 0 0 0 0 0 0 0 9.8370 3.0880 -6.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0400 4.0960 -5.8320 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2290 -2.0310 -0.0200 F 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 1.1540 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 -0.1070 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 -1.6620 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2850 -2.2310 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4110 -3.7950 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 -2.4260 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 -3.9920 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8260 -1.4870 -5.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8360 0.6390 -5.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2030 2.6760 -4.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 0.5490 -4.2280 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 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 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END