IBS-ZINC02396918 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.0110 1.4660 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -0.0310 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.7890 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -2.1890 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -2.8330 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -2.1000 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.6970 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.0020 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -0.1660 -3.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 0.8100 -4.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 1.5270 -3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 1.0080 -2.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 2.6020 -4.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 3.1950 -3.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 4.2970 -4.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 4.7180 -5.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 4.7500 -3.8160 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 4.1490 -2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2200 4.4220 -1.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 2.8850 -2.3860 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 5.8450 -4.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8330 6.0830 -5.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5750 5.4710 -4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 7.1010 -3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 7.3000 -2.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7730 8.0010 -3.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 9.2170 -2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -2.9830 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -2.3280 3.5290 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7040 1.9600 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 1.7930 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 1.8060 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.2810 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -3.9180 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -2.6410 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -0.8950 -3.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 0.9740 -5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 2.9490 -5.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 4.4980 -4.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9720 5.4300 -3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1710 6.2130 -4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 9.0120 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 9.7530 -3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4100 9.8440 -2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -4.2470 2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 20 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 21 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 2 0 0 0 0 M CHG 1 29 -1 M END