IFLAB-ZINC04518809 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 2.4070 0.0290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 3.4920 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 4.2850 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 5.6210 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 6.6390 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 6.3040 0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 5.0360 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 4.0390 0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 4.7150 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5650 5.7300 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 5.3880 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2770 4.1230 0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 3.1350 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 3.3890 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 8.0620 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 8.3530 0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 9.0340 0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 5.5860 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 6.3570 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 4.2960 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 3.9150 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 -0.8600 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.1130 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -2.0180 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 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 3.3140 1.9670 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 6.7680 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6510 6.1660 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7540 2.1140 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 2.5750 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 8.8020 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 9.9660 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -2.2220 -1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -2.9460 0.0480 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 27 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 M END