IFLAB-ZINC00081526 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.5760 0.2020 -1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 1.3830 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 1.3440 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 0.1240 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -1.0580 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -1.0210 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 -0.0200 -0.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 0.8730 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 2.2460 -2.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7390 0.4150 -0.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 0.6300 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8850 0.2360 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2790 0.3750 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9700 0.8980 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2210 1.2740 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8240 1.1360 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4780 1.0420 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0800 0.6770 0.8120 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6520 0.2360 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 2.3410 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 2.2930 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 -2.0290 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -1.9460 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 -0.9510 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -0.1540 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3980 -0.1760 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8310 0.0680 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7330 1.6700 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 1.4010 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0310 1.5140 -1.2900 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 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 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 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 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 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 2 0 0 0 0 M CHG 1 18 -1 M END