IFLAB-ZINC05154865 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -1.9620 -1.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -2.6230 -2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -2.0040 -3.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -4.1300 -2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -4.7130 -3.7820 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -6.4540 -3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 -7.2950 -4.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 -6.9330 -5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 -8.6320 -4.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -9.3920 -5.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -9.1310 -3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -8.2320 -2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -6.9150 -2.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -8.7240 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -7.8200 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -8.2850 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -9.6460 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -10.5480 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -10.0950 -0.7940 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 0.3320 -2.4570 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -4.4910 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -4.5070 -2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -10.1960 -2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -6.7580 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -7.5860 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -10.0050 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -11.6090 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -10.8000 -1.5050 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 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 M END