IFLAB-ZINC01916913 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 0.9920 0.4870 1.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.3650 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -0.4580 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 0.3180 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 1.1830 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 1.2530 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 1.9960 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 3.3070 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3140 4.0600 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4170 3.5410 -0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 5.3970 -0.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 5.7650 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 7.2750 -0.7650 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 4.3520 -0.2130 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 6.3190 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6040 6.3930 -2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7470 7.3930 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1770 7.4780 -3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3020 8.4930 -3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7930 8.6540 -5.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2710 7.8910 -6.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 0.1890 -1.8690 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3620 -0.9480 -2.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 1.2140 -2.5500 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4680 0.5550 2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -0.9560 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -1.1280 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 1.9040 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 1.4490 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 7.3140 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0210 5.9740 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9180 5.3990 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 6.6830 -2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 8.3850 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6040 7.0970 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5060 6.4890 -4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3160 7.7580 -4.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9690 9.4780 -3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1660 8.2050 -3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6770 9.5470 -5.5600 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 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 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 40 -1 M END