IFLAB-ZINC04061022 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1960 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0130 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.4190 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 1.8530 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 0.7380 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -0.3730 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 -1.7600 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2220 -2.2770 -1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 -3.6640 -1.4960 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 -4.3300 -2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -3.7790 -3.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 -5.7290 -2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3940 -6.4210 -3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 -7.7260 -3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1700 -8.3510 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 -7.6690 -1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 -6.3620 -1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 -9.9940 -2.7060 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 3.5150 -0.0210 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1610 3.3150 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8170 4.6720 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1360 5.6750 -0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1620 4.7700 -0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -1.7700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 3.1740 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 0.7190 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 -1.8060 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 -2.3780 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -2.2310 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -1.6590 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 -4.1030 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 -5.9350 -4.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 -8.2620 -4.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3180 -8.1620 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5390 -5.8300 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 2.7600 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 2.7680 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7060 3.9680 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5840 5.6430 -0.0500 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 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 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 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 21 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END