IFLAB-ZINC04271887 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 1 0 0 0 0 0999 V2000 0.0880 0.7270 -1.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 1.5960 -1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 1.3110 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 0.1550 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -0.7050 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -0.4260 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 -0.1800 0.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 0.5980 0.7340 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0660 0.9360 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 -0.2530 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9940 -1.4150 1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 0.4390 2.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 1.6550 2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 2.4190 3.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 2.0000 1.8540 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6090 -0.1130 3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8490 0.1190 2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5320 1.3400 2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6640 1.5590 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1390 0.5660 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4460 -0.6520 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3120 -0.8720 1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3650 0.8050 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8890 1.9620 -0.2270 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7880 0.9480 -2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 2.5000 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 2.0200 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -1.6140 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -1.1100 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 -1.0550 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7440 0.3360 4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4620 -1.1880 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1890 2.1340 2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1840 2.5140 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7920 -1.4350 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7910 -1.8230 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7870 -0.1690 -0.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 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 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 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 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 2 0 0 0 0 M CHG 1 24 -1 M END