IFLAB-ZINC04568601 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 1.9920 0.7640 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -0.5490 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -0.8560 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 0.1590 1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 1.4690 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 1.7790 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 2.5270 2.4550 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6410 2.1880 3.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 3.6970 2.0550 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5260 -2.2200 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -2.3780 2.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -3.2910 0.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -4.6870 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -5.0610 0.7190 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1070 -4.4940 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -6.5380 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -7.5540 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -8.9090 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -9.2270 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -8.2570 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -6.9130 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -8.7770 -1.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 -10.1910 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -10.4820 -0.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -5.2620 3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -4.4780 4.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -4.3040 4.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -3.5570 2.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -4.2840 1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 0.9980 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -1.3000 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -0.0750 2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 2.7940 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -3.1310 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -5.2720 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -4.9170 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -7.3050 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -9.6870 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -6.1790 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -10.6530 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -10.6310 -2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -5.3570 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -6.2480 3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -5.0330 5.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -3.4980 4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7100 -3.4430 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -2.5540 2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -5.2650 1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -3.6820 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -4.5220 1.9180 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1160 -3.5630 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 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 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 50 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 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 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 50 1 M END