PUBCHEM-ZINC03686965 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0920 1.5300 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 0.1110 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -0.4590 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 0.2290 2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -0.4570 3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -1.8550 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -2.5780 2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -1.8610 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -3.9720 2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -4.0550 3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -2.7660 4.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -2.5210 4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -5.2040 4.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 -5.2860 4.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 -6.3820 5.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 -7.4090 5.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -7.3300 5.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -6.2340 4.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -8.7240 5.9230 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -5.1100 1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -5.7060 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -6.8750 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -7.4780 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 1.9920 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 1.8190 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 1.8970 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 1.3130 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 0.0850 4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -2.3890 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -4.5020 4.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 -6.4350 5.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 -8.2580 6.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -6.1760 4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -5.8880 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -4.7670 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -4.9310 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -6.0520 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -7.6440 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -6.5280 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -6.7530 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 -7.8960 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -8.5930 -1.7640 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2100 -9.0130 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -8.2710 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -9.3430 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 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 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 42 1 M END