IFLAB-ZINC04275312 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5360 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 0.7500 -0.4730 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -1.9850 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -2.9120 2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -4.2190 1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -4.3380 0.1710 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -2.5980 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -1.8760 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -2.0540 -2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -2.5160 -2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -5.3000 2.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 -6.5520 2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -6.7360 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -7.7030 3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -7.4960 4.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -8.5740 5.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -9.8600 4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -10.0740 3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -9.0040 2.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -9.2740 0.9600 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -2.5150 3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -2.2000 4.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -0.4970 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9130 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8970 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8880 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -0.0300 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -0.1900 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -3.1150 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.5400 -2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -1.6330 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -2.4400 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -1.9960 -3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -3.5650 -2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -5.1530 3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -6.4930 4.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -8.4150 6.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -10.7010 5.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -11.0800 3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -0.1230 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -1.5870 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -0.1320 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -0.4580 -1.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -0.0330 -2.0390 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 2 24 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 44 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 22 23 3 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 M END