CHEMDIV-ZINC06894517 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 1 0 0 0 0 0999 V2000 0.0970 -1.1650 8.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -1.1790 7.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -2.3450 4.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -3.2230 4.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -2.5810 4.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -2.2030 5.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -1.3260 6.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 -2.3680 3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 -2.4950 1.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 -2.0000 3.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1610 -1.1900 3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 -1.4600 1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 -1.6530 1.6780 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4650 -0.9210 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5600 -1.8020 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1920 -3.1880 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 -3.9850 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 -3.2080 3.3180 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4570 -3.2630 4.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1650 -2.3180 5.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 -2.6450 6.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2410 -3.8990 7.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5340 -4.8490 6.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1610 -4.5040 5.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 -5.2880 4.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 -4.6230 3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 -5.0870 2.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -0.6140 8.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -0.6720 9.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -2.1810 8.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -1.6540 6.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -0.1720 6.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -1.3980 4.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -2.8770 4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -4.1740 4.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -3.4660 3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 -3.1300 6.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 -1.6570 5.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 -1.1720 7.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -0.3600 5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 -2.0140 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.4070 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8040 -1.7160 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3090 -1.0270 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2260 -3.6180 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2180 -3.1380 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3510 -4.2050 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7900 -4.8850 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 -1.3460 5.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 -1.9240 7.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5610 -4.1320 8.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 -5.8190 7.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 -6.2310 4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -1.9990 6.3470 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0100 -2.8860 6.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 -3.0030 2.3430 N 0 3 0 0 0 0 0 0 0 0 0 0 7.9840 -2.9960 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 7 54 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 56 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 54 1 M CHG 1 56 1 M END