IFLAB-ZINC05250738 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.0090 1.3800 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 0.0000 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.6820 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 0.0250 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.4050 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 2.0870 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 3.4860 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 4.1430 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 3.5240 1.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 5.6310 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 6.2500 -0.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 6.2880 0.9290 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 7.7490 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 8.2390 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 7.9480 2.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -2.0800 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -2.8200 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -3.7520 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -4.8180 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -4.1750 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -2.9570 0.3780 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -2.0200 1.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -3.5920 -0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 1.9100 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -0.5500 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 -0.5050 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 1.9540 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 3.9830 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 5.7940 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 8.1860 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 8.0490 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 9.3150 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 7.7340 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 8.2320 3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -3.4080 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 -2.1160 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 -4.2370 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 -3.1680 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -5.2860 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -5.5750 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -4.9410 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -3.6760 2.4920 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 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 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 M END