IFLAB-ZINC01796125 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -0.0930 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 0.6060 -0.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -0.5410 -2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 0.1300 -2.5010 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 1.5330 -2.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 -0.4880 -3.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 0.2900 -5.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 -0.1960 -6.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 -1.4590 -6.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 -2.2360 -5.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 -1.7490 -3.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7040 -2.5790 -2.7680 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2040 -3.6900 -2.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -2.1510 -1.7460 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9170 -1.9790 -7.5380 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9290 -1.2940 -8.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4120 -3.0910 -7.5520 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -1.6300 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -0.1790 -3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 1.2760 -5.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 0.4120 -7.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7260 -3.2220 -5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 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 16 2 0 0 0 0 12 13 2 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 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 20 1 M CHG 1 22 -1 M END