IFLAB-ZINC01247969 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8110 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -2.3240 -2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -3.6890 -2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -4.5540 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -4.0330 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -2.6670 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -5.9110 -1.8310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -6.6670 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -6.2400 0.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -7.1090 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -6.7830 2.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -8.5450 0.9040 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1480 -8.9560 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -8.4300 -0.8460 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -9.3930 1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -10.8380 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -11.1580 0.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -11.8610 1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -13.2030 1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -14.1560 2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -13.7860 3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -12.4600 3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -11.4970 2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -1.6550 -3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -4.0880 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -4.6980 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -2.2630 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -5.2950 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -9.2920 2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -9.0520 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -13.4930 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -15.1930 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -14.5370 3.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -12.1800 4.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -10.4630 3.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 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 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 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 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 17 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 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END