IFLAB-ZINC04248479 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 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 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -2.0030 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -2.6260 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -1.8690 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.4880 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.1390 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 -2.6650 4.5050 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 -1.7400 5.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -3.9690 4.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -2.8640 4.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 -1.6920 3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6130 -2.1280 3.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4920 -0.9230 3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5080 -0.5370 4.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0460 0.5980 3.9000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0770 1.4060 4.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4100 2.4880 3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6960 2.7970 2.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6660 2.0000 1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3310 0.8740 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4020 -0.0620 2.6260 N 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 0.2300 -2.5950 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -3.7040 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1000 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 1.2170 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -3.7560 3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 -1.2240 2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -0.9790 4.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8620 -2.5960 4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7720 -2.8410 3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8340 -1.0310 5.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6320 1.1770 5.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2280 3.1190 3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9640 3.6640 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1100 2.2290 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 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 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 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 22 23 2 0 0 0 0 M END