NCID-ZINC04726543 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 53 0 0 1 0 0 0 0 0999 V2000 -0.8270 1.5580 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 0.1490 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -0.2750 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 0.5230 0.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -1.6360 -0.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -2.3010 0.4490 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5800 -1.6640 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -2.6140 1.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -1.3610 2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 -1.6860 4.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -2.7850 4.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -0.5470 5.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -0.3970 5.7050 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3120 -0.2470 6.2870 N 0 5 0 0 0 0 0 0 0 0 0 0 -4.0490 -3.6110 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 -4.1290 -1.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2510 -4.1530 0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 -5.4210 -0.3810 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0030 -6.1380 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5980 -5.2540 -1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 -4.9390 -2.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4160 -5.0390 -4.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6170 -5.1820 -4.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -4.9690 -5.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 -4.1190 -6.3450 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.2410 -3.3890 -7.1670 N 0 5 0 0 0 0 0 0 0 0 0 0 -6.8330 -5.9850 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1730 -5.1380 1.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 1.9870 -1.5040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4010 1.8580 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 3.4550 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 3.4590 -0.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 2.2650 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 1.6240 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 0.1130 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -0.5730 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -2.2440 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 -3.2440 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -3.2110 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -0.7610 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -0.7580 2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 0.0900 5.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8430 -3.7190 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1560 -6.1740 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3510 -4.4610 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 -3.9210 -2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 -5.6470 -2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 -5.6080 -5.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1630 -7.1950 0.5280 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0090 4.3540 -1.3460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6240 1.1460 -1.0310 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0360 0.5340 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 0.6790 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 1.9430 -0.8290 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 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 2 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 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 M CHG 1 13 1 M CHG 1 14 -1 M CHG 1 25 1 M CHG 1 26 -1 M CHG 1 49 -1 M CHG 1 50 -1 M CHG 1 51 1 M END