IFLAB-ZINC05258111 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 48 0 0 1 0 0 0 0 0999 V2000 0.0050 1.8030 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 0.3570 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.0180 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -1.3690 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -2.3780 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -2.0070 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -0.6420 -1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -3.0200 -2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -3.7560 0.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -4.3190 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -3.7390 2.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -5.8370 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -6.4200 2.8040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3100 -6.2220 3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -7.9320 2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -8.1780 3.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -5.9200 5.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 -5.8030 6.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 -6.1090 7.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -6.4180 9.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 2.1040 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.9830 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 2.4380 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 0.7380 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -1.5960 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -0.3520 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -3.6180 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -2.5410 -3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -3.6760 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -4.3970 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -6.1820 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -6.1880 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -6.8990 5.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -5.1310 5.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -6.5040 5.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 -4.7950 5.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -5.3650 7.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -7.1120 7.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 -7.4340 9.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -5.6930 10.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 -6.3560 10.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -8.6700 2.2370 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7080 -5.7950 3.7600 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5320 -6.4110 3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -4.8120 3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -6.0740 8.2800 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2840 -6.7270 7.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -5.1400 8.2030 H 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 46 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 46 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 42 -1 M CHG 1 43 1 M CHG 1 46 1 M END