IFLAB-ZINC04248645 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.7730 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0760 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.7720 -2.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -2.7590 -3.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -3.5590 -4.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -4.0560 -4.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -3.5960 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -3.9760 -2.0510 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -5.0940 -3.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 -5.5610 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -5.1750 -1.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3090 -6.4070 -3.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 -6.8370 -3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3380 -7.6470 -3.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4740 -7.9510 -3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6470 -7.3700 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2290 -6.3800 -1.5050 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.4940 -8.8790 -3.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -4.2800 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.1650 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6250 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1420 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -2.2100 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -3.7680 -5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 -4.5700 -4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -5.9560 -3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -6.7160 -4.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5050 -7.4880 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2840 -9.9020 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4910 -8.5940 -3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4420 -8.8120 -4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -4.6580 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -4.6340 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -4.6370 0.8760 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END