IFLAB-ZINC00189306 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 -0.4090 3.1910 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 1.9100 0.3780 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0200 2.1270 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 0.8610 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 0.4500 2.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 0.0480 2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 1.1370 1.4920 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3900 2.0470 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 1.4030 0.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 0.6600 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 0.4420 3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 0.2140 4.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 0.7080 3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 1.2340 4.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 1.4070 4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 1.9320 5.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 2.0220 4.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6560 1.6020 3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7540 1.0880 2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 0.9840 3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 0.3730 2.1980 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2110 2.5750 5.8920 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8440 2.9460 6.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3860 2.6590 5.5820 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6060 3.5770 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 3.9360 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 2.9740 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -0.0040 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 1.2900 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -0.8980 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -0.0600 3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 0.4550 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 1.4350 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -0.2490 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 1.5090 5.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 2.2630 6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 1.6800 3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0910 0.7620 1.8040 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 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END