IFLAB-ZINC02700445 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1870 -2.3900 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -2.5480 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -1.8180 -1.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -2.3900 -2.0430 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -3.4820 -2.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 -2.5050 -0.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 -1.1340 -2.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -1.1100 -4.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -0.1240 -4.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6000 0.8360 -4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4830 0.8100 -2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7340 -0.1780 -2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -3.7780 -0.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.4990 -2.4070 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5940 -3.2430 -2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 -3.7050 -3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -3.3790 -4.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -2.5950 -4.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -2.1730 -3.6270 C 0 0 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -1.8600 -4.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -0.1040 -5.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1870 1.6060 -4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 1.5600 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -0.2000 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -4.0240 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -3.4930 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2340 -4.3140 -3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 -3.7260 -5.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -2.3210 -5.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -1.5650 -3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 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 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 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 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 1 18 1 M END