IFLAB-ZINC05299436 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2050 -0.6870 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0090 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4080 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 2.1580 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 3.5070 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 4.2530 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 3.6560 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 5.6000 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 6.3070 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 7.7250 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9660 8.6650 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3190 9.9350 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0630 10.1140 -0.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3090 8.3740 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4290 7.6400 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 6.3290 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2340 5.6690 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -0.8500 -0.0390 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -1.7670 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 1.6290 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 4.0360 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 6.0760 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 8.3480 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 10.7610 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3020 5.7700 -0.0540 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 20 2 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 M END