IFLAB-ZINC04315705 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0180 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 1.3980 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 3.5650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 4.3660 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 5.6410 0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 5.6790 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 4.4020 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 4.1310 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 7.1400 0.0150 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 8.3970 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 9.7890 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 10.8060 0.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 12.1140 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 12.4490 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 13.1410 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 14.4960 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 15.4490 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 15.0640 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 13.7230 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 12.7600 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 16.1110 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 16.4430 -1.1920 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8720 15.6090 0.7900 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 17.2530 0.7840 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -2.0340 -0.0190 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -0.5160 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 1.9430 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 4.0340 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 8.2850 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 8.2740 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 9.9010 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 9.9110 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 10.5390 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 14.7980 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 16.4980 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 13.4290 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 11.7130 0.0720 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 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 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 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 24 2 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 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M END