IBS-ZINC05484582 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 50 0 0 0 0 0 0 0 0999 V2000 1.0220 -2.2370 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -3.4700 -0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -3.4030 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -2.1690 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -2.0850 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 -3.2400 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 -4.4860 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -4.5590 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -5.4940 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 -4.8020 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1370 -3.4480 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1530 -2.3930 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6290 -2.1160 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4420 -3.0280 -1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8780 -2.7740 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5020 -1.6080 -3.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6900 -0.6950 -3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2570 -0.9460 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2430 0.2030 -1.1620 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.5760 -5.5490 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6490 -4.9840 0.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5090 -6.9100 0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 -7.5150 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -6.8220 0.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 -9.2260 0.8430 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7210 -9.8520 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8190 -8.9610 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7770 -7.6090 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -2.4320 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -1.7550 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -1.5820 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -1.2700 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -1.1220 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -5.5170 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9950 -2.7160 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -1.4860 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 -3.9390 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5130 -3.4870 -3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8420 -1.4110 -4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3950 0.2150 -3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 -9.8080 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8590 -10.8810 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7930 -9.4240 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 -8.8300 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5790 -6.9870 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 -7.7570 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M END