PUBCHEM-ZINC04749419 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 0.2500 1.4650 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 0.0560 0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -0.5350 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 0.1390 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -0.5480 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -1.9190 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -2.5950 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -1.9170 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -2.5080 0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -3.9250 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 -2.6650 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7850 -3.3860 -1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3250 -3.5170 -2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 -4.4640 -3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 -3.9750 -3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 -3.8420 -2.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9760 -4.5070 -4.9400 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7890 -5.5410 -5.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3420 -5.4210 -7.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1900 -6.4250 -8.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4760 -7.5750 -7.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9180 -7.7250 -6.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 -6.7120 -5.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2630 -8.9380 -9.0640 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 1.7640 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 1.7510 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 1.9900 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 1.2020 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 0.0090 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -3.6580 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -4.2680 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -4.4000 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -4.2260 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 -3.6400 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -2.0770 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3610 -2.6420 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8030 -4.3420 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3560 -3.8880 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3680 -2.5250 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 -5.4560 -3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -4.6660 -4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -3.0070 -4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 -4.8060 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 -3.4120 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5160 -3.7130 -5.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9040 -4.5300 -7.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6310 -6.2940 -9.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 -8.6210 -6.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6240 -6.8670 -4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -2.9130 -1.3770 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3370 -1.9970 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 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 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END