IFLAB-ZINC04249035 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0100 1.3590 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0110 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -0.6780 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 0.0400 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 1.4150 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0730 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 2.1410 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 1.5860 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 0.4950 -1.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9900 2.3060 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 1.7350 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 2.4120 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4020 3.6540 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2550 4.2260 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 3.5620 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9380 4.5120 -0.1500 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8160 5.4130 0.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9560 3.5240 -0.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0790 5.4430 -1.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -2.1500 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -2.9740 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -4.2670 0.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -4.1680 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -2.9060 0.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -5.7690 1.0300 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -6.6820 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -5.6030 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.8740 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -0.5650 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -0.4730 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 3.1440 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 3.0430 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1110 0.7650 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2490 1.9710 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3030 5.1960 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 4.0120 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3760 5.4340 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8640 5.9970 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -2.6830 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -7.4020 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -7.1850 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -5.6140 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -5.8290 -0.3420 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END