IFLAB-ZINC02457558 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0210 2.1950 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 0.8840 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 0.3140 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 1.0300 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 2.3530 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 2.9320 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 0.4690 -1.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 0.8300 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 -0.4380 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 -1.3870 -1.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 -1.7370 -1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -0.4790 -2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1140 -1.8640 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1570 -1.4290 -1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2310 -2.9650 -2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9540 -2.7570 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0880 -3.8010 -4.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5150 -5.0610 -4.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8120 -5.2530 -3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 -4.2130 -2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6620 -6.1890 -5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2970 -5.9350 -6.3920 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9720 2.6400 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 0.2950 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -0.7240 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 2.9710 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 3.9600 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 1.4280 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 1.4260 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 -0.1600 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1410 -0.9610 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7640 -2.3590 -2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -2.3170 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -0.7740 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 0.0230 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 -1.7930 -3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6470 -3.6400 -5.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3730 -6.2260 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1380 -4.3840 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1420 -7.3070 -5.0110 O 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 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 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 13 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 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 2 0 0 0 0 M CHG 1 22 -1 M END