IFLAB-ZINC04248780 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -1.9920 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.6020 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -1.8350 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4550 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 0.1610 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -2.5030 -4.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -2.7330 -5.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -3.8890 -5.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -3.6690 -6.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -2.4170 -7.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -1.8410 -6.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -0.1950 -6.5710 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 0.3370 -8.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 1.7590 -8.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 2.3540 -7.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 2.3690 -9.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 3.7510 -9.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 4.0180 -11.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 5.1490 -11.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 5.8880 -9.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 4.7300 -8.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -2.5910 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -3.6800 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 0.1420 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 1.2380 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 -1.8620 -4.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -3.4570 -4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -4.7990 -5.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -4.3780 -7.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -0.3120 -8.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 0.2770 -7.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 1.8930 -9.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 3.9340 -9.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 4.3310 -11.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 3.1190 -11.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 5.8220 -12.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 4.7350 -11.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 6.5740 -9.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 6.4160 -9.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 4.2480 -8.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 5.0970 -8.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 M END