IFLAB-ZINC04248556 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 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 -0.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1590 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4560 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -1.8360 -3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -2.6060 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -1.9960 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.7520 -0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -4.1710 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.6140 -4.5860 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -3.9170 -4.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -1.6740 -5.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -2.8160 -4.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -3.7090 -3.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 -4.0110 -3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -4.9300 -2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0980 -6.1120 -2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 -6.6350 -0.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7980 -7.7530 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7420 -7.8520 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9310 -6.3770 1.5860 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -5.7180 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 -4.7040 -0.7350 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 1.1260 1.2370 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 0.1420 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -3.6840 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -4.6540 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -4.4830 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -4.4590 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 -2.3420 -4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -3.2290 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -4.6390 -3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 -4.4910 -4.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -3.0810 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4120 -6.5730 -3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 -8.5340 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 -8.6620 1.6410 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 11 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 M END