IFLAB-ZINC04585895 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 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 0.8510 -0.5890 -1.4900 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -0.2970 -2.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -0.2740 -1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -2.3460 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -3.0440 -1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -4.4190 -1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -5.1070 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -4.3970 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -3.0220 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -6.5810 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -7.1960 -1.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -7.2420 -0.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -8.6270 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -9.3580 0.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -10.6620 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -11.0520 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -9.6150 -0.9580 S 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 -1.0630 -2.5100 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -4.9620 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -4.9230 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -2.4720 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -6.7510 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -11.3580 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -12.0710 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 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 29 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 M END