IFLAB-ZINC04303316 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 -0.1180 1.9270 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 0.4050 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -0.2380 0.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9430 0.1080 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -1.7600 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 0.1340 -1.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 0.2160 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 -0.0170 -0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 0.5970 -2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9240 0.6200 -2.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2160 1.7320 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 1.0780 -3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9420 2.4040 -3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5120 2.7630 -5.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7890 1.7970 -5.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4950 0.4710 -5.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9220 0.1120 -4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6030 -1.3070 -4.2240 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.7480 -2.1440 -5.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1950 -1.6380 -3.1240 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.4110 2.1880 -7.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6130 3.5720 -7.3040 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 1.8210 -8.3240 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.6390 1.5350 -7.4260 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 2.3850 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 2.2770 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 2.2030 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 0.1290 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 0.0550 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -2.1070 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.0400 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -2.2180 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 1.5860 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -0.1300 -3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7260 3.1590 -3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7410 3.7990 -5.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7120 -0.2840 -6.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END