NCID-ZINC01643916 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -0.5280 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -0.1490 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 0.9990 1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 1.3500 1.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 0.5980 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 -0.5670 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -0.9070 0.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -1.3660 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 -0.9490 -0.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 0.1560 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0440 0.9100 0.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2110 0.5330 0.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 -2.5120 -1.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -0.5200 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -0.2920 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -0.8010 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -1.5460 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -1.7730 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -1.2580 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -1.5580 -2.5990 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 -2.0930 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0150 -1.8960 0.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5980 -2.8120 -1.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9560 -3.3560 -1.4820 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6550 -2.6580 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3340 -3.5600 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3970 -2.2020 -3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7700 -2.4030 -5.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9650 -3.5180 -5.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0130 -4.6770 -0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0220 -5.1200 -0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8420 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8260 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8160 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -0.1040 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -1.6130 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 1.6070 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -0.0040 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5040 1.3350 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -2.8020 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 -3.0280 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 0.2840 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 -0.6240 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -2.3490 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 -2.9700 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5850 -4.1860 -3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3080 -4.0450 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1460 -1.5760 -3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4230 -1.7160 -3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8850 -1.3440 -5.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1660 -5.3620 -0.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1540 -6.2050 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1260 -1.5230 -6.8360 H 0 0 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 52 55 1 0 0 0 0 53 54 1 0 0 0 0 M END