NCID-ZINC01643916 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.8740 0.0450 -2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -1.0550 -1.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -2.0520 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -1.4310 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -0.8780 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 -0.3150 1.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -0.2890 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 -0.8440 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 -1.4170 -0.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -0.7640 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 -0.2020 0.5920 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3480 0.2970 1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0740 0.2710 2.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2600 0.8750 2.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3490 -1.2800 -1.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -1.1230 -1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -0.0250 -0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -0.0270 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -1.1440 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -2.2390 -1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -2.2260 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -3.7130 -2.8830 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 -1.1430 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 -0.1190 -0.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7230 -2.3380 -0.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1350 -2.6680 -0.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6790 -1.7500 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7490 -3.3630 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 -2.4720 -2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4570 -3.1060 -3.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6370 -4.3550 -3.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2420 -3.6880 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1580 -4.3130 1.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -0.2060 -3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 0.2750 -3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 0.9470 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -2.8160 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -2.5740 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -0.8640 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2240 0.9010 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9300 1.2530 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6950 -1.7110 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3350 -1.2100 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 0.8490 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 0.8350 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -3.0850 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 -3.1040 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1740 -4.2700 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7660 -3.7010 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3560 -1.5530 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7950 -2.1830 -2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7360 -2.2860 -4.6730 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.3590 -3.7480 1.7130 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 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 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 32 33 2 0 0 0 0 32 53 1 0 0 0 0 M CHG 1 52 -1 M CHG 1 53 -1 M END