IFLAB-ZINC04176832 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.1650 0.9780 1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 1.6060 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 2.7020 0.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 0.8890 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1890 1.4710 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 0.7990 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 -0.4630 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -1.0450 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -0.3770 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 -1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7150 -0.6780 -0.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0330 -2.4020 0.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2550 -3.0470 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5280 -2.4060 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7800 -1.0920 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0540 -0.6680 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1290 -1.5180 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9150 -2.8000 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6110 -3.2600 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0420 -4.8270 -0.1100 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.3640 -4.3280 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2650 -5.1550 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 -4.6880 -0.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4640 -6.4600 -0.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -7.2340 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 1.6520 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 0.7940 2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 0.0350 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 2.4470 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 1.2480 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -2.0210 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -0.8300 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 -2.8280 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9540 -0.4210 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2320 0.3380 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1370 -1.1700 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7550 -3.4560 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 -6.8130 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 -7.2160 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6120 -8.2630 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 21 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END