IFLAB-ZINC05258405 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 0 0 0 0 0999 V2000 -1.2530 1.1950 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -0.1500 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -0.8490 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -2.0840 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -2.6230 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -1.9290 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.6920 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.0110 -2.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.6530 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -1.8660 -3.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 0.1100 -4.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.8740 -6.0450 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5940 -1.5710 -6.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -0.1160 -7.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -0.1900 -8.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -2.9190 -6.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -3.6650 -6.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -5.0170 -7.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 -5.7630 -7.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -7.1150 -7.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 -7.8610 -7.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -3.9450 0.1260 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3520 -4.5580 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -4.4210 -0.8690 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5280 1.9770 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 1.3520 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 1.2300 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -0.4310 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -2.6280 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -2.3510 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 0.9760 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 0.7260 -4.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 0.7500 -4.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -2.7600 -7.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -3.5090 -6.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -3.0740 -6.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -3.8240 -5.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -5.6070 -6.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -4.8580 -8.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 -5.1720 -7.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -5.9220 -6.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 -7.7050 -7.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -6.9560 -8.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9670 -7.2700 -8.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4110 -8.0200 -6.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 -9.0420 -9.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 0.6410 -7.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -1.6200 -5.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -1.0800 -6.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 -9.1590 -8.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -9.6710 -8.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 1.1080 -8.4970 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 46 50 1 0 0 0 0 47 52 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END