IFLAB-ZINC04247303 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 1.3230 1.4840 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -0.0050 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -0.7440 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -2.1060 1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -2.7400 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -1.9870 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -0.6250 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -4.1970 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -4.9140 -1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -6.2510 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -6.2950 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -5.0400 1.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -7.4510 1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -7.4130 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -6.3840 3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -4.9600 2.4700 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -6.5840 4.5740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -7.7210 5.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -8.0530 6.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -8.6440 4.0520 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 1.6880 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 1.9630 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 1.8760 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -0.2520 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -2.6810 2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -2.4710 -1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.0420 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -4.5220 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -7.0870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -8.3660 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -5.9190 5.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M END