IFLAB-ZINC04291598 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 0.0390 1.1370 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -0.3310 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -0.6470 -1.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -1.1140 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -1.4210 -2.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 -1.8980 -1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -2.2110 -2.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 -1.9770 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 -2.4080 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 -2.4820 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 -3.6280 2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1360 -3.6390 3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5580 -2.5090 4.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9930 -1.3810 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9650 -1.3650 2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 -2.4960 5.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 -3.5470 6.4340 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7550 -1.4420 0.3590 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -1.2500 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 0.1490 -4.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 1.3690 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 1.7750 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 1.3990 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -0.9670 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.5210 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1530 -2.7240 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 -4.5020 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -4.5250 4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 -0.4980 4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2680 -0.4650 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -1.9880 -4.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -1.4320 -3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 0.9120 -3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 0.3490 -4.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 0.2580 -5.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 -1.4330 6.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 36 2 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M CHG 1 17 -1 M END