IBS-ZINC04813112 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 0 0 0 0 0 0999 V2000 0.3120 1.4290 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -0.0340 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.6850 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -0.0740 2.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -2.1570 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8920 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -4.2360 2.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -5.0230 3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -6.5100 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -7.3320 4.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -9.5920 5.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -9.0650 3.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -2.8110 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -4.0220 -0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -2.0300 -1.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -0.6950 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 0.2150 -2.5800 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 1.8460 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 1.7600 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 1.7700 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -2.3890 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -4.6820 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -4.8430 4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -4.7290 4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -6.6900 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -6.8040 2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -7.1520 5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -7.0380 4.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -9.3530 5.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -9.3960 5.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -10.6440 4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -8.4860 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -8.8070 4.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -10.1280 3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -2.4450 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -8.7600 4.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 36 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 36 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 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 35 1 0 0 0 0 16 17 2 0 0 0 0 M END