IFLAB-ZINC04120493 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -2.1600 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 -2.3810 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -1.0220 0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -0.1480 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 1.5890 0.0520 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5220 1.6020 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 3.0260 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 3.6920 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 4.9980 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9180 5.6400 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 4.9760 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 3.6660 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 3.0140 2.4640 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -2.5820 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -2.5910 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -2.9160 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -2.9250 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 1.1000 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 1.0810 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0880 3.1920 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 5.5180 -2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2700 6.6610 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8430 5.4780 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 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 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 M END