IFLAB-ZINC05258388 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 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 1.5820 -2.6590 -6.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -3.4640 -6.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -1.5190 -5.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -0.7150 -6.0310 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 1.5800 -2.1910 -7.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -3.3250 -6.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 -3.9540 -5.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 -4.2160 -7.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 -0.8540 -5.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 -1.9870 -4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 0.0380 -5.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -0.2250 -7.0040 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 4.0260 -2.5580 -6.8860 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 -3.0700 -6.8220 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 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 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 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 41 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 42 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 40 44 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END